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DOE OSTI2021

Bioinformatic teaching resources - for educators, by educators - using KBase, a free, user-friendly, open source platform

Over the past year, biology educators and staff at the Department of Energy Systems Biology Knowledgebase (KBase) initiated a collaborative effort to develop a curriculum for bioinformatics education. KBase is a free and easily accessible data science platform that integrates many bioinformatics resources into a graphical user interface built upon reproducible analysis notebooks. KBase held conversations with college and high school instructors to understand how KBase could potentially support their educational goals. These conversations morphed into a working group of biological and data science instructors that adapted the KBase platform to their curriculum needs, specifically around concepts in Genomics, Metagenomics, Pangenomics, and Phylogenetics. The KBase Educators Working Group developed modular, adaptable, and customizable instructional units. Each instructional module contains teaching resources, publicly available data, analysis tools, and markdown capability to tailor instructions and learning goals for each class. The online user interface enables students to conduct hands-on data science research and analyses without requiring programming skills or their own computational resources (these are provided by KBase). Alongside these resources, KBase continues to work with instructors, supporting the development of additional curriculum modules. For anyone new to the platform, KBase, and the growing KBase Educators Organization, provides a community network, accompanied by community-sourced guidelines, instructional templates, and peer support to use KBase within a classroom whether virtual or in-person.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Exploring Wholesale Energy Price Trends: The Renewables and Wholesale Electricity Prices (ReWEP) tool (Ver. 2024.1)

The Renewables and Wholesale Electricity Prices (ReWEP) visualization tool from Berkeley Lab has been updated with nodal electricity pricing and wind and solar generation data through the end of 2023. ReWEP users can explore trends in wholesale electricity prices and their relationship to wind and solar generation. ReWEP includes nodal pricing trends across locations, regions, and different timeframes. The tool consists of maps, time series, and other interactive figures that provide: (1) a general overview of how average pricing, negative price frequency, and extreme high prices vary over time, and (2) a summary of how pricing patterns are related to wind and solar generation. Interactive functionality allows investigation by year, season, time of day, and region, where region is defined as the Independent System Operators (ISO) or Regional Transmission Organizations (RTO) region. ReWEP also contains prices throughout much of the western United States from the Western Energy Imbalance Market and the Western Energy Imbalance Service Market.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Exploring Wholesale Energy Price Trends: The Renewables and Wholesale Electricity Prices (ReWEP) tool (Ver. 2024.1)

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS2017

Ground System Architectures Workshop GMSEC SERVICES SUITE (GSS): an Agile Development Story

The GMSEC (Goddard Mission Services Evolution Center) Services Suite (GSS) is a collection of tools and software services along with a robust customizable web-based portal that enables the user to capture, monitor, report, and analyze system-wide GMSEC data. Given our plug-and-play architecture and the needs for rapid system development, we opted to follow the Scrum Agile Methodology for software development. Being one of the first few projects to implement the Agile methodology at NASA GSFC, in this presentation we will present our approaches, tools, successes, and challenges in implementing this methodology. The GMSEC architecture provides a scalable, extensible ground and flight system for existing and future missions. GMSEC comes with a robust Application Programming Interface (GMSEC API) and a core set of Java-based GMSEC components that facilitate the development of a GMSEC-based ground system. Over the past few years, we have seen an upbeat in the number of customers who are moving from a native desktop application environment to a web based environment particularly for data monitoring and analysis. We also see a need to provide separation of the business logic from the GUI display for our Java-based components and also to consolidate all the GUI displays into one interface. This combination of separation and consolidation brings immediate value to a GMSEC-based ground system through increased ease of data access via a uniform interface, built-in security measures, centralized configuration management, and ease of feature extensibility.

Software Development/Agile↗

DOE OSTI2025

PyARC Status Report: New Integrations and Upgrades to the Fast Reactor Analysis Workflow Management Tool

PyARC was initially developed as an open source tool to support fast reactor analyses using the Argonne Reactor Computation (ARC) code suite as a part of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Workbench initiative in FY17. The goal of this initiative is to provide a common user interface for model generation, real-time validation, execution, output processing, and visualization for all integrated codes. This is accomplished through the reliance on tools available in the Workbench framework and runtime environment. While initially developed to support the ARC codes, PyARC was extended in FY22 to wrap other NEAMS and non-ARC codes, including Griffin and OpenMC, in the supported other neutronics workflows, and support users in the adoption of NEAMS-supported high fidelity analysis codes. Most recently, NUBOW-3D, a recently adopted ARC code, was integrated to support reactor bowing calculations as well. Integration of these codes into the NEAMS Workbench directly benefits the advanced reactor modeling community by: • Providing a set of controlled, maintained, documented and validated scripts to generate inputs, which promotes best practices, reduces the learning curve, and facilitates project collaboration. • Improving the user experience: the Workbench interface provides assistance for building an input through auto-completion, real-time validation, document navigation, and geometry and results visualization. • Automating complex calculations and workflows for reactor analysis. • Helping users transition to using high-fidelity NEAMS codes along-side the ARC codes. In FY22, a progress report was published that described the state of each of the tools integrated into PyARC. Since then, there have been many enhancements and upgrades to the existing integrations as well as entirely new code integrations as well. This report details all new integrations and major developments in PyARC since the version 2.0.0 release highlighted in the FY22 report.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2010

Designing and Implementing an OVERFLOW Reader for ParaView and Comparing Performance Between Central Processing Units and Graphical Processing Units

In the Applied Aerosciences and CFD branch at Johnson Space Center, computational simulations are run that face many challenges. Two of which are the ability to customize software for specialized needs and the need to run simulations as fast as possible. There are many different tools that are used for running these simulations and each one has its own pros and cons. Once these simulations are run, there needs to be software capable of visualizing the results in an appealing manner. Some of this software is called open source, meaning that anyone can edit the source code to make modifications and distribute it to all other users in a future release. This is very useful, especially in this branch where many different tools are being used. File readers can be written to load any file format into a program, to ease the bridging from one tool to another. Programming such a reader requires knowledge of the file format that is being read as well as the equations necessary to obtain the derived values after loading. When running these CFD simulations, extremely large files are being loaded and having values being calculated. These simulations usually take a few hours to complete, even on the fastest machines. Graphics processing units (GPUs) are usually used to load the graphics for computers; however, in recent years, GPUs are being used for more generic applications because of the speed of these processors. Applications run on GPUs have been known to run up to forty times faster than they would on normal central processing units (CPUs). If these CFD programs are extended to run on GPUs, the amount of time they would require to complete would be much less. This would allow more simulations to be run in the same amount of time and possibly perform more complex computations.

Chawner, David M.↗

NASA NTRS1997

Archiving of Wideband Plasma Wave Data

Beginning with the third year of funding, we began a more ambitious archiving production effort, minimizing work on new software and concentrating on building representative archives of the missions mentioned above, recognizing that only a small percentage of the data from any one mission can be archived with reasonable effort. We concentrated on data from Dynamics Explorer and ISEE 1, archiving orbits or significant fractions of orbits which attempt to capture the essence of the mission and provide data which will hopefully be sufficient for ongoing and new research as well as to provide a reference to upcoming and current ISTP missions which will not fly in the same regions of space as the older missions and which will not have continuous wideband data. We archived approximately 181 Gigabytes of data, accounting for some 1582 hours of data. Included in these data are all of the AMPTE chemical releases, all of the Spacelab 2/PDP data obtained during the free-flight portion of its mission, as well as significant portions of the S3, DE-1, Imp-6, Hawkeye, Injun 5, and ISEE 1 and 2 data sets. Table 1 summarizes these data. All of the data archived are summarized in gif-formatted images of frequency-time spectrograms which are directly accessible via the internet. Each of the gif files are identified by year, day, and time as described in the Web page. This provides a user with a specific date/time in mind a way of determining very quickly if there is data for the interval in question and, by clicking on the file name, browsing the data. Alternately, a user can browse the data for interesting features and events simply by viewing each of the gif files. When a user finds data of interest, he/she can notify us by email of the time period involved. Based on the user's needs, we can provide data on a convenient medium or by ftp, or we can mount the appropriate data and provide access to our analysis tools via the network. We can even produce products such as plots or spectrograms in hardcopy form based on the specific request of the user.

Kurth, William S.↗

DOE OSTI2022

Crosslink V.0.11.x User Manual

CrossLink is a novel two-dimensional and three-dimensional geometry and mesh generation software package developed by the Simulation Tools team at Los Alamos National Laboratory. This software represents the third generation of topology-based mesh generation technology developed by the Department of Defense and the Department of Energy with a special focus on complex multi-material hydrodynamic applications, mesh scalability, and high-order element mesh generation. The topology-based meshing approach offered by CrossLink enables users to quickly and easily mesh complex geometries in a repeatable and robust manner. CrossLink’s topology-based meshing approach is well-suited for parametric design studies, parametric design optimization, damage scenario assessment, and iterative design modification (i.e. feature addition and/or removal). CrossLink’s python API allows workflow scripting of the geometry creation and mesh generation process for traceability, repeatability, data provenance, and version control. CrossLink consists of three main components: a graphical user interface (GUI), a geometry creation and mesh generation engine, and a python API that provides a workflow scripting interface to the geometry and meshing functions.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1993

Advancing satellite operations with intelligent graphical monitoring systems

For nearly twenty-five years, spacecraft missions have been operated in essentially the same manner: human operators monitor displays filled with alphanumeric text watching for limit violations or other indicators that signal a problem. The task is performed predominately by humans. Only in recent years have graphical user interfaces and expert systems been accepted within the control center environment to help reduce operator workloads. Unfortunately, the development of these systems is often time consuming and costly. At the NASA Goddard Space Flight Center (GSFC), a new domain specific expert system development tool called the Generic Spacecraft Analyst Assistant (GenSAA) has been developed. Through the use of a highly graphical user interface and point-and-click operation, GenSAA facilitates the rapid, 'programming-free' construction of intelligent graphical monitoring systems to serve as real-time, fault-isolation assistants for spacecraft analysts. Although specifically developed to support real-time satellite monitoring, GenSAA can support the development of intelligent graphical monitoring systems in a variety of space and commercial applications.

Hughes, Peter M.↗

DOE OSTI2023

Plant-specific Model and Data Analysis using Dynamic Security Modeling and Simulation

The requirements for U.S. nuclear power plants to maintain a large on-site physical security force contribute to their high operational costs. The cost of maintaining the current physical security posture is approximately 10% of the overall operation and maintenance budget for commercial nuclear power plants. The goal of the Light Water Reactor Sustainability (LWRS) program’s physical security pathway is to develop tools, methods, and technologies and provide the technical basis for an optimized physical security posture. The conservatisms built into current security postures may be analyzed and minimized in order to reduce security costs while still ensuring adequate security and operational safety. The research performed at Idaho National Laboratory within LWRS program’s physical security pathway has successfully developed a dynamic force-on-force modeling framework using various computer simulation tools and integrating them with the dynamic assessment Event Modeling Risk Assessment using Linked Diagrams (EMRALD) tool. This document provides an update on the progress in applying a dynamic computational framework that links results from a commercially available force-on-force simulation tool, a commercially available thermal-hydraulic tool, and EMRALD to an operating commercial nuclear power plant. This report is only a summary of the progress and does not contain specific modeling results as those contain sensitive security information. This process of including plant procedures and multiple analysis results is being called Modeling and Analysis for Safety Security using Dynamic EMRALD Framework or MASS-DEF. Previous reports described how a user could integrate their plant-specific force-on-force models with the dynamic simulation tool EMRALD, model operator actions, integrate with probabilistic risk assessment tools, such as CAFTA (Computer Aided Fault Tree Analysis System) or SAPHIRE (Systems Analysis Programs for Hands-on Integrated Reliability Evaluations), and with thermal-hydraulic tools, such as RELAP-5. Previous reports applied various combinations of available simulations codes with EMRALD using generic plant models to demonstrate how to perform the analysis. This report documents the results of applying the dynamic computational framework to an actual nuclear facility using their security scenarios and timelines. This report does not contain any plant's sensitive information and/or Safeguards Information. The purpose of this study was to verify that results achieved using generic models are similar to actual plant results and to refine our guidance on the use of the framework. This assessment enables further analysis, such as what-if scenarios and staff-reduction evaluation, thereby optimizing physical security at plants.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Development of a web-based screening tool for ground source heat pump applications

Ground source heat pump (GSHP) technology has great potential to help the nation meet its energy and decarbonization goals, but several barriers hinder the wide application of GSHP. Important barriers include the lack of a coherent toolset for analyzing the technical feasibility and economic viability of the GSHP application. The current design and analysis methods are ineffective and require significant expertise to apply. Although building energy modeling is increasingly important in designing buildings, the tools for GSHP modeling and simulation are lacking. A web-based free-to-use tool is being developed for quick techno-economic analysis of GSHP applications in nearly any building in the United States. This tool is enabled by improvements in the calculation methodology to allow rapid sizing of borehole configurations that provide significant cost savings. The screening tool currently uses US Department of Energy (DOE) prototype building models and an extended g-function library to size ground heat exchangers and simulate the performance of GSHP systems. The team is integrating with DOE's Oak Ridge National Laboratory's AutoBEM program to automatically create a building model based on user inputs. This paper introduces the structure, components, features, and results of the web-based screening tool for GSHP applications. Future directions for further developing the tool are also discussed.

Liu, Xiaobing↗

DOE OSTI2020

Nanomaterial Synthesis Insights from Machine Learning of Scientific Articles by Extracting, Structuring, and Visualizing Knowledge

Nanomaterials of varying compositions and morphologies are of interest for many applications from catalysis to optics, but the synthesis of nanomaterials and their scale-up are most often time-consuming and Edisonian processes. Information gleaned from the scientific literature can help inform and accelerate nanomaterials development, but again, searching the literature and digesting the information are time-consuming manual processes for researchers. To help address these challenges, here we developed scientific article-processing tools that extract and structure information from the text and figures of nanomaterials articles, thereby enabling the creation of a personalized knowledgebase for nanomaterials synthesis that can be mined to help inform further nanomaterials development. Starting with a corpus of ~35k nanomaterials-related articles, we developed models to classify articles according to the nanomaterial composition and morphology, extract synthesis protocols from within the articles’ text, and extract, normalize, and categorize chemical terms within synthesis protocols. We demonstrate the efficiency of the proposed pipeline on an expert-labeled set of nanomaterials synthesis articles, achieving 100% accuracy on composition prediction, 95% accuracy on morphology prediction, 0.99 AUC on protocol identification, and up to a 0.87 F1-score on chemical entity recognition. In addition to processing articles’ text, microscopy images of nanomaterials within the articles are also automatically identified and analyzed to determine the nanomaterials’ morphologies and size distributions. To enable users to easily explore the database, we developed a complementary browser-based visualization tool that provides flexibility in comparing across subsets of articles of interest. We use these tools and information to identify trends in nanomaterials synthesis, such as the correlation of certain reagents with various nanomaterial morphologies, which is useful in guiding hypotheses and reducing the potential parameter space during experimental design.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Investigating Fission Reaction Rate Ratio Sensitivities [Slides]

One EUCLID project goal is to create a NEW capability in the MCNP6 code. This is being tested on reaction rate sensitivities and compared with SENSMG results. Reaction rate ratio sensitivities were added to EUCLID sensitivity library and investigated to determine value toward designing optimized experiments aimed at reducing compensating errors in nuclear data. The use of adjustment using multiple responses (and underlying/required capabilities) may benefit many applications. These include a tool for adjustment using multiple integral responses (ND adjustment and validation community); sensitivities of additional responses (ND adjustment and validation community); sensitivity capabilities (users in many application areas including safeguards/nonproliferation, criticality safety, etc.); and experiment optimization capability (applications which can benefit from integral experiments). Team is working to build and test future tools and to understand compensating errors

235U↗

NASA NTRS2007

General Mission Analysis Tool (GMAT) Architectural Specification. Draft

Early in 2002, Goddard Space Flight Center (GSFC) began to identify requirements for the flight dynamics software needed to fly upcoming missions that use formations of spacecraft to collect data. These requirements ranged from low level modeling features to large scale interoperability requirements. In 2003 we began work on a system designed to meet these requirement; this system is GMAT. The General Mission Analysis Tool (GMAT) is a general purpose flight dynamics modeling tool built on open source principles. The GMAT code is written in C++, and uses modern C++ constructs extensively. GMAT can be run through either a fully functional Graphical User Interface (GUI) or as a command line program with minimal user feedback. The system is built and runs on Microsoft Windows, Linux, and Macintosh OS X platforms. The GMAT GUI is written using wxWidgets, a cross platform library of components that streamlines the development and extension of the user interface Flight dynamics modeling is performed in GMAT by building components that represent the players in the analysis problem that is being modeled. These components interact through the sequential execution of instructions, embodied in the GMAT Mission Sequence. A typical Mission Sequence will model the trajectories of a set of spacecraft evolving over time, calculating relevant parameters during this propagation, and maneuvering individual spacecraft to maintain a set of mission constraints as established by the mission analyst. All of the elements used in GMAT for mission analysis can be viewed in the GMAT GUI or through a custom scripting language. Analysis problems modeled in GMAT are saved as script files, and these files can be read into GMAT. When a script is read into the GMAT GUI, the corresponding user interface elements are constructed in the GMAT GUI. The GMAT system was developed from the ground up to run in a platform agnostic environment. The source code compiles on numerous different platforms, and is regularly exercised running on Windows, Linux and Macintosh computers by the development and analysis teams working on the project. The system can be run using either a graphical user interface, written using the open source wxWidgets framework, or from a text console. The GMAT source code was written using open source tools. GSFC has released the code using the NASA open source license.

Hughes, Steven P.↗

NASA NTRS2013

A System for Fault Management for NASA's Deep Space Habitat

NASA's exploration program envisions the utilization of a Deep Space Habitat (DSH) for human exploration of the space environment in the vicinity of Mars and/or asteroids. Communication latencies with ground control of as long as 20+ minutes make it imperative that DSH operations be highly autonomous, as any telemetry-based detection of a systems problem on Earth could well occur too late to assist the crew with the problem. A DSH-based development program has been initiated to develop and test the automation technologies necessary to support highly autonomous DSH operations. One such technology is a fault management tool to support performance monitoring of vehicle systems operations and to assist with real-time decision making in connection with operational anomalies and failures. Toward that end, we are developing Advanced Caution and Warning System (ACAWS), a tool that combines dynamic and interactive graphical representations of spacecraft systems, systems modeling, automated diagnostic analysis and root cause identification, system and mission impact assessment, and mitigation procedure identification to help spacecraft operators (both flight controllers and crew) understand and respond to anomalies more effectively. In this paper, we describe four major architecture elements of ACAWS: Anomaly Detection, Fault Isolation, System Effects Analysis, and Graphic User Interface (GUI), and how these elements work in concert with each other and with other tools to provide fault management support to both the controllers and crew. We then describe recent evaluations and tests of ACAWS on the DSH testbed. The results of these tests support the feasibility and strength of our approach to failure management automation and enhanced operational autonomy.

Fault management↗

NASA NTRS2013

A System for Fault Management and Fault Consequences Analysis for NASA's Deep Space Habitat

System Effects Analysis↗

DOE OSTI2026

ARM FY2026 Radar Plan

The U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) User Facility maintains a suite of advanced atmospheric radar systems that serve as critical tools in ARM’s mission to provide continuous, high-quality observations for advancing the understanding and modeling of atmospheric processes. These radar systems enable detailed characterization of clouds, precipitation, and dynamic structures in the atmosphere, supporting a broad range of scientific applications. The number of deployed systems exceeds what current staffing levels can fully support for continuous 24/7/365 operation. As such, it is essential to have a clearly defined and community-informed plan that prioritizes radar operations and communicates ARM’s strategy for sustaining and evolving these observational assets. This FY2026 Radar Plan outlines ARM’s approach to managing its radar portfolio—balancing scientific impact, operational feasibility, and long-term sustainability. It reflects ARM’s continued commitment to delivering calibrated, well-documented radar data products that enable process-level studies and support the development and evaluation of weather and climate models. Through this plan, ARM aims to ensure transparency in decision-making, alignment with user needs, and support for innovative science across the facility’s fixed and mobile observatories. Given uncertainties around the Fiscal Year (FY) 2026 budget, this plan was developed to assume business as usual and will be updated as budgets and plans may change. It should be noted that, given the limited timeframe involved, this plan will be more succinct than previous plans.

47 OTHER INSTRUMENTATION↗

NASA NTRS2009

Anvil Forecast Tool in the Advanced Weather Interactive Processing System (AWIPS)

Launch Weather Officers (LWOs) from the 45th Weather Squadron (45 WS) and forecasters from the National Weather Service (NWS) Spaceflight Meteorology Group (SMG) have identified anvil forecasting as one of their most challenging tasks when predicting the probability of violating the Lightning Launch Commit Criteria (LLCC) (Krider et al. 2006; Space Shuttle Flight Rules (FR), NASA/JSC 2004)). As a result, the Applied Meteorology Unit (AMU) developed a tool that creates an anvil threat corridor graphic that can be overlaid on satellite imagery using the Meteorological Interactive Data Display System (MIDDS, Short and Wheeler, 2002). The tool helps forecasters estimate the locations of thunderstorm anvils at one, two, and three hours into the future. It has been used extensively in launch and landing operations by both the 45 WS and SMG. The Advanced Weather Interactive Processing System (AWIPS) is now used along with MIDDS for weather analysis and display at SMG. In Phase I of this task, SMG tasked the AMU to transition the tool from MIDDS to AWIPS (Barrett et aI., 2007). For Phase II, SMG requested the AMU make the Anvil Forecast Tool in AWIPS more configurable by creating the capability to read model gridded data from user-defined model files instead of hard-coded files. An NWS local AWIPS application called AGRID was used to accomplish this. In addition, SMG needed to be able to define the pressure levels for the model data, instead of hard-coding the bottom level as 300 mb and the top level as 150 mb. This paper describes the initial development of the Anvil Forecast Tool for MIDDS, followed by the migration of the tool to AWIPS in Phase I. It then gives a detailed presentation of the Phase II improvements to the AWIPS tool.

Barrett, Joe H., III↗