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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

The ATLAS Trigger Simulation with Legacy Software

Physics analyses at the LHC require accurate simulations of the detector response and the event selection processes, generally done with the most recent software releases. The trigger response simulation is crucial for determination of overall selection efficiencies and signal sensitivities and should be done with the same software release with which data were recorded. This requires potentially running with software dating many years back, the so-called legacy software, in which algorithms and configuration may differ from their current implementation. Therefore having a strategy for running legacy software in a modern environment becomes essential when data simulated for past years start to present a sizeable fraction of the total. The requirements and possibilities for such a simulation scheme within the ATLAS software framework were examined and a proof-of-concept simulation chain has been successfully implemented. One of the greatest challenges was the choice of a data format which promises long term compatibility with old and new software releases. Over the time periods envisaged, data format incompatibilities are also likely to emerge in databases and other external support services. Software availability may become an issue, when e.g. the support for the underlying operating system might stop. The encountered problems and developed solutions will be presented, and proposals for future development will be discussed. Some ideas reach beyond the retrospective trigger simulation scheme in ATLAS as they also touch more generally aspects of data preservation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

High-Performance Computing Based EMT Simulation: Power Grid with IBRs

Electromagnetic transient (EMT) simulation of power grids with high-fidelity models of inverter-based resources (IBRs) is time-consuming and difficult to scale. The necessity for high-fidelity models of IBRs that incorporate the dynamics of individual inverters within IBRs has been showcased in recent studies. These studies focused on events with partial power reduction in each IBR during a transmission line fault in the power grid. These types of events have been documented in multiple North American Electric Reliability Council (NERC) reports in the past decade. It is imperative then to find solutions to speed-up EMT simulations and scale the size of the region with IBRs studied in EMT simulations. In this paper, a combination of numerical simulation algorithms with high-performance computing techniques are employed in discretization and linear solvers employed in the proposed RE-INTEGRATE EMT simulation platform for power grid with IBRs. For ease of scalability, modular and object-oriented programming is used as these techniques are implemented. Additionally, automation software is developed to convert legacy software codes to the proposed RE-INTEGRATE EMT simulation platform. Thereafter, this platform is evaluated on multi-core central processing units (CPUs). Finally, scale-up tests are performed to showcase the scalability that is possible.

Marthi, Phani Ratna Vanamali [ORNL] (ORCID:0000000↗
DOE OSTI2025

Python STXM Control (pystxmcontrol) v0.1

The software is a complete solution for controlling scanning microscopes. It provides a low level interface to device hardware via drivers, communication and coordination layers for managing scan execution and data acquisition, a graphical interface and scripting interface for user interaction. With optimized hardware drivers and low software overhead this software is 10 times faster than the legacy software it is replacing.

Shapiro, David [Lawrence Berkeley National Laborat↗
DOE OSTI2022

Improved Uncertainty Quantification with Advanced Reactor Application

This document provides an overview of the economic and technical challenges related to bringing small modular reactors to market and then presents an outline for how to address the new challenges. The purpose of this project was to proactively design software for its intended use to provide a strategic positioning for work in the future. This project seeks to augment the short-term stop-gap approach of trying to use legacy software well outside of its range of applicability.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

ORNL Package Testing Program Software Quality Assurance Plan

The Oak Ridge National Laboratory (ORNL) Package Testing Program (PTP) uses commercial off-the-shelf (COTS) software in performing data collection of thermal test results for package designs that contain radioactive materials. Specifically, this software is used to collect temperature data from the furnace, packages, and ambient air to prepare and execute the thermal test specified in 10 CFR 71.73, “Thermal Test.” This software quality assurance (SQA) plan sets forth the guidelines, standards, and procedures that shall be used to provide SQA for PTP software applications. This is a living document that will be maintained for the lifecycle of the PTP program. The SQA plan follows the requirements set forth in ORNL Standards Based Management System (SBMS): Information Technology; Subject Area: Software Quality Assurance. When applicable to the requirements as described in ORNL SBMS, Software Quality Assurance, the software shall be listed in the ORNL Software Registration System (SRS). Exemptions to this SBMS are COTS and firmware that are not modified; spreadsheet applications and personal productivity tools that do not have a utility or safety application, research applications, legacy software, system software, vendor-supplied software used to interface with the vendor’s services, software used within the organization to facilitate processing or management of information, and software developed for applications not specific to the US Department of Energy (DOE).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Digitizing Today’s Buildings in the Real World: Lessons from Field Demonstrations

Digital twins, created by generating a virtual replica of a building, enable safe evaluation of operational scenarios and applications like fault detection and diagnosis and advanced controls. However, a prerequisite is the creation of a machine-readable digital representation of a building, currently hindered by fragmented information scattered across mechanical drawings, point lists, and natural language sequences. As a result, digital twin development remains labor-intensive, error-prone, and difficult to validate. To address these challenges, two efforts from ASHRAE aim to support the digitalization of buildings. ASHRAE s223 establishes a semantic model of buildings, representing system components, configuration, and data sources. ASHRAE s231 defines a vendor-neutral programming language for expressing their control logic. As the industry evaluates implementing them in their products, understanding the challenges that vendors and implementers may face is crucial. In this paper, we present findings and lessons learned from field demonstrations in five buildings that implemented control applications using ASHRAE s223 and s231. The demonstrations highlight how semantic modeling and formalized control descriptions can significantly reduce software development time, manual point mapping, and hard-coding. Beyond time efficiency, they enable reliable automation by minimizing human interpretation and providing a means for consistency across projects. We describe the processes and best practices for model creation and model usage, from translating heterogeneous building documentation into semantic representations to implementing control logic in real-world systems. Finally, we discuss the challenges that persist, including integration with legacy software environments, gaps in interoperability, and the level of expertise still required to effectively leverage semantic models.

Prakash, Anand Krishnan↗
DOE OSTI2021

NEXTorch: A Design and Bayesian Optimization Toolkit for Chemical Sciences and Engineering

Automation and optimization of chemical systems require well-informed decisions on what experiments to run to reduce time, materials, and/or computations. Data-driven active learning algorithms have emerged as valuable tools to solve such tasks. Bayesian optimization, a sequential global optimization approach, is a popular active-learning framework. Past studies have demonstrated its efficiency in solving chemistry and engineering problems. Here we introduce NEXTorch, a library in Python/PyTorch, to facilitate laboratory or computational design using Bayesian optimization. NEXTorch offers fast predictive modeling, flexible optimization loops, visualization capabilities, easy interfacing with legacy software, and multiple types of parameters and data type conversions. It provides GPU acceleration, parallelization, and state-of-the-art Bayesian optimization algorithms and supports both automated an d human-in-the-loop optimization. The comprehensive online documentation introduces Bayesian optimization theory and several examples from catalyst synthesis, reaction condition optimization, parameter estimation, and reactor geometry optimization. NEXTorch is open-source and available on GitHub

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Assessment of Screen-Covered Grooved Sodium Heat Pipes for Microreactor Applications

New nuclear reactor designs that incorporate heat pipes are being investigated for possible near-term deployment in terrestrial applications. Here, this study explores the use of screen-covered axially grooved sodium heat pipes and their applicability for providing heat removal for microreactors. A sodium working fluid is appropriate for microreactors operating in the 5 to 20 MW(thermal) range at approximately 650°C. HTPIPE, a legacy software code, was validated for the case of screen-covered grooves and used to perform steady-state analyses to determine the performance limits of a proposed heat pipe design. The performance limits of a sodium heat pipe with a screen-covered square grooved wick structure is compared to that of an equivalent heat pipe with an annular wick. In a horizontal orientation at an operating temperature of 650°C,the performance limits for the heat pipe with an annular wick configuration are 15% higher than for the screen-covered grooved wick. At operating temperatures below 777°C, the annular wick outperforms the screen-covered grooved wick, and at temperatures above 777°C, the screen-covered grooved wick outperforms the annular wick. However, the marginal performance gain at higher temperatures may not justify the use of heat pipes with a screen-covered grooved wick structure due to increased manufacturing costs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

Multi–LDAP Dynamic User Management Tool Utilizing Oracle Application Express and PL/SQL

A Center for Infrastructure Security Analysis (CISA) client system required support of multiple Lightweight Directory Access Protocol (LDAP) directories for multiple, varied user communities. The LDAP directories were all based upon different technologies, i.e., Microsoft Active Directory (AD), Microsoft Active Directory Lightweight Directory Services (ADLDS), and Oracle Internet Directory (OID), depending on system setup, security requirements, and legacy software. Research revealed that PL/SQL provided the capability to execute dynamic PL/SQL and SQL blocks. The dynamic capabilities were utilized along with several configuration tables to provide an object-oriented, polymorphic-like behavior. This architecture was chosen so that a top-level application programming interface (API) could be defined for all calls, no matter what type of LDAP was being manipulated, as each LDAP type has slightly different attributes and requirements. The dynamic nature of the user management system allowed for easy setup and utilization of any new LDAP directories, minimizing the time and effort expended on system changes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

ESGF Future Architecture Report (V.1.1)

This document reports the findings of the Earth System Grid Federation Future Architecture Face-to-Face Meeting held in the UK 5-7 November 2019, attended by technical representatives from the ESGF partner organisations. ESGF is an International federated archive that provides access to Earth science data. It is fundamentally a distributed file management system with its main function being data dissemination through the provision of services for efficient replication and search. It has been in operation for over ten years and has undergone continuous improvements and enhancements over this time span. The Future Architecture is a major review of the software system including a fundamental reassessment of its requirements with a view to develop a new overall system architecture. This has been initiated in the light of challenges around the maintenance of the existing software legacy and a changing technology landscape and practices in the communities it serves. The work is being carried out under the oversight of the ESGF Executive Committee1,2 and is coordinated activity between ESGF and the European IS-ENES3 project.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

From Obsolete to Optimal (ATR Demineralized Water System)

My project was migrating a Human-Machine Interface (HMI) and Programmable Logic Controller (PLC) program from legacy software to a modern platform, enhancing operational efficiency and eliminating unsupported, obsolete equipment. Initially, I used a migration tool to transfer the programs to the new software, then manually updated variables to align with the new PLC. I optimized the PLC code by leveraging new scaling features in the I/O cards, removing over 45 obsolete rungs, and enhancing clarity with functional tag aliases. Next, I modernized the HMI's visuals with an updated color scheme and 3D buttons. I developed multiple interface versions iteratively refining them based on operator feedback. I also designed and created a dedicated "Rounds" screen incorporating insights from a previous intern’s project to streamline daily rounds. To improve clarity, consistency, and efficiency I redesigned the entire interface. Adding visual indicators to enhance operational awareness: red is used for values outside normal specifications, green for normal operating modes, yellow for manual mode, and grey for offline units. Additionally, I added a dynamic visual representation of tank levels, creating PLC logic to show the level in inches as well as inches and feet. I then incorporated a navigation sidebar to facilitate efficient screen transitions. Risk of human error was mitigated by defining narrow input ranges for tank level shutoff and password protecting setpoint changes. I also fixed issues with datatypes that caused inaccuracies in the original code. Overall, this comprehensive upgrade significantly enhanced the HMI's functionality, user experience, and operational reliability.

47 - OTHER INSTRUMENTATION↗
DOE OSTI2023

MEASUR Up: Identifying opportunities in a facility

The commercial and industrial sectors account for nearly half of the total U.S. energy consumption. To help these sectors reduce their energy intensity, the U.S. Department of Energy (DOE) designed the Better Buildings, Better Plants Initiative. Through this initiative, more than 900 industrial, commercial, public and residential organizations commit to long-term sustainability goals and share their proven energy efficiency strategies, which inspire others to tap into the continued potential for energy efficiency. Collectively, these organizations have saved 2.5 quadrillion BTUs of energy, equivalent to US$15.3 billion, and 155 million metric tons of carbon dioxide. Within the initiative, the Better Plants side of the program focuses specifically on the industrial sector. More than 270 industrial partners have taken advantage of the unique selection of resources offered including workforce development programs, information sharing, peer-to-peer networking, diagnostic tool loans and software tools. One of the most powerful tools off ered is a revitalization of the legacy DOE software tools used by industry for decades. These have been transformed into a new, free, opensource software tool suite: MEASUR (Manufacturing Energy Assessment Software for Utility Reduction)

Armstrong, Kristina↗
DOE OSTI2024

SCA Tools - SCRM Value Add or Lossy Noise Machines

Software supply chain risk management (SCRM) depends upon accurate information regarding the software components that comprise any given software system. The collection of components included in a software package can be organized within a software bill of materials, or SBOM. SBOMs are ideally generated when the software components are put together, such as at compile time, but for many reasons that has not and is not always possible. For example, legacy or proprietary software packages often do not have SBOMs available to downstream consumers of that software. It’s not just end users that are affected, manufacturers themselves also must deal with this problem. To answer these questions, the market has seen the rise of several commercial software composition analysis (SCA) tools. These tools aim to peer into completed software systems, automatically identifying hidden software dependencies and looking up known vulnerabilities associated with those dependencies to enable end-users to enhance their cyber supply chain risk management processes. These tools are potentially a huge boon to end users of legacy and proprietary software – and a potential bane, depending on how accurate they are. This research asks that question – how accurate are currently available binary SCA tools – and provides answers to several other questions: What does it mean to be “accurate”? What limitations do the tools have in identifying common edge cases that take place in modern software development? Can they help you avoid a devastating supply chain attack, or is it all just noise? After researching SCA tools on the market, we identified three vendors that fit our use case and would provide analysis on compiled binaries. Using these tools, we submitted firmware for critical infrastructure devices for analysis and SBOM generation. The SBOM outputs were then cross referenced with SBOMs generated through manual analysis for comparison. In addition to the firmware samples, we also submitted edge case samples based off a popular open-source library that were specifically crafted to evaluate each tools’ ability to accurately identify components. These samples were customized to be consistent with modifications we have seen in modern software development as well as a couple that are representative of supply chain attacks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Process Heating Assessments Using DOE’s Manufacturing Energy Assessment Software for Utility Reduction (MEASUR) Tool Suite

Process heating is the most energy-intensive manufacturing process for most sectors of industry. To quantify energy savings from various energy conservation measures, the Department of Energy (DOE) sponsored the development of the Process Heating Assessment and Survey Tool (PHAST) and similar tools for other industrial systems in the early 2000s. It has been used extensively in the Save Energy Now Program’s Energy Savings Assessments and the Better Plants Program’s In-Plant Trainings. Since the initial development of the legacy tools, both computer operating systems and software development have evolved significantly. Thus, DOE has invested in the modernization of PHAST and other legacy software tools to create the Manufacturing Energy Assessment Software for Utility Reduction (MEASUR) tool suite. MEASUR offers a collection of software tools that can aid manufacturing facilities in improving the efficiency of energy systems and equipment (specifically pumps, fans, steam, and process heating) and in conducting “Energy Treasure Hunts”. Eventually, the tool will also add compressed air and process cooling systems. The Process Heating Assessment (PHA) module of MEASUR is an upgrade of the PHAST tool. PHA provides the means to model fuel-fired, steam-based, and electric process heating systems, covering process heating for most industrial plants in manufacturing sector. It also includes several key upgrades, including the ability to consider multi-component charge loads and account for several different areas of energy losses. The new tool includes a comprehensive flue gas calculator to quantify available heat and heat loss for various gaseous, liquid, and solid fuels and new heat loss calculators. It generates a report and a dynamic Sankey diagram to show the energy consumption in various areas of energy use. MEASUR has significantly improved the user experience by adopting a modern software design. This paper details the structure and workflow of PHA and presents a real-world case study to demonstrate energy savings quantification and MEASUR’s outstanding reporting capabilities.

Nimbalkar, Sachin U.↗
DOE OSTI2022

DIF3D-VARIANT Usage Guide

The DIF3D software is a key part of the legacy fast reactor analysis software package developed and maintained at Argonne National Laboratory. The DIF3D-VARIANT capability has been pushed to the forefront of usage in the last decade at ANL because of improved computing resources and the focus on reactors with significant leakage. The purpose of this document is to discuss when the DIF3D-VARIANT solver provides a solid benefit to analysis work and discuss the resource requirements and explain why they are so much greater than the other solver options in DIF3D. Additional discussion will be provided on solution accuracy and any deficiencies relative to other solvers available in the literature.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗