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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Recent SCALE Activities Within the Nuclear Criticality Safety Program

The role of SCALE in the Department of Energy’s Nuclear Criticality Safety Program (NCSP) is defined according to the Five-Year Plan, and summarized as follows. 1. Sustain/improve SCALE NCS features through user driven enhancements, software quality assurance (SQA) and validation and verification (V&V). 2. Assure adaptability to various computing platforms and compilers. 3. Improve user interfaces/documentation consistent with modern engineering software. 4. Support responsive communication to SCALE criticality safety users through SCALE Newsletters, email notices, and updates on the SCALE website. 5. Modernize software infrastructure and capabilities to improve quality and reliability and to ensure long term sustainability of the NCS capabilities. This paper describes the specific activities which have been performed within each area above for the NCSP in the fiscal year (FY) 2018, from October 1, 2017, to September 30, 2018.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Probabilistic Resource Adequacy Suite (PRAS) v0.8 Model Documentation

The Probabilistic Resource Adequacy Suite, or PRAS, is a software package for studying power system resource adequacy. It allows the user to simulate power system operations under a wide range of operating conditions, in order to study the system's risk of failing to meet demand due to a resource shortfall, and identify the time periods and regions in which that risk occurs. This reports documents version 0.8 of the tool.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2018

Comparative Performance Evaluation of High-performance Data Transfer Tools

Data transfer in wide-area networks has been long studied in different contexts, from data sharing among data centers to online access to scientific data. Many software tools and platforms have been developed to facilitate easy, reliable, fast, and secure data transfer over wide area networks, such as GridFTP, FDT, bbcp, mdtmFTP, and XDD. However, few studies have shown the full capabilities of existing data transfer tools from the perspective of whether such tools have fully adopted state-of-the-art techniques through meticulous comparative evaluations. In this paper, we evaluate the performance of the four highperformance data transfer tools (GridFTP, FDT, mdtmFTP, and XDD) in various environments. Our evaluation suggests that each tool has strengths and weaknesses. FDT and GridFTP perform consistently in diverse environments. XDD and mdtmFTP show improved performance in limited environments and datasets during our evaluation. Unlike other studies on data transfer tools, we also evaluate the predictability of the tools' performance, an important factor for scheduling different stages of science workflows. Performance predictability also helps in (auto)tuning the configurable parameters of the data transfer tool. We apply statistical learning techniques such as linear/polynomial regression, and k-nearest neighbors (kNN), to assess the performance predictability of each tool using its control parameters. Our results show that we can achieve good prediction performance for GridFTP and mdtmFTP using linear regression and kNN, respectively.

Nadig, Deepak↗
DOE OSTI2022

Quantum Networks for Resilient Power Grids: Theory and Simulated Evaluation

Quantum networks are considered the future of secure communication in the coming quantum era. Yet there lack significant efforts on developing practical quantum networks for power grids. Here, in this paper, we establish a quantum network-based power grid (QNetGrid) framework and develops a real-time, reliable, flexible, programmable, and cost-effective QNetGrid software testbed containing repeater-based quantum communication, quantum routing, real software-defined networking (SDN) switches, and real-time networked microgrids (NMs) operations. It makes the following contributions: 1) a repeater and routing based quantum network simulator (QNSim) is developed, 2) repeaters with and without quantum memories are respectively simulated in QNSim, 3) different routing scenarios in QNetGrid are investigated, 4) a real-time QNetGrid software testbed is built in RTDS incorporating QNSim and real SDN switches, and 5) various test cases are designed, and experimental results produced with the QNetGrid testbed provide valuable insights for building quantum networks in power grids.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Resiliency in numerical algorithm design for extreme scale simulations

Here this work is based on the seminar titled ‘Resiliency in Numerical Algorithm Design for Extreme Scale Simulations’ held March 1–6, 2020, at Schloss Dagstuhl, that was attended by all the authors. Advanced supercomputing is characterized by very high computation speeds at the cost of involving an enormous amount of resources and costs. A typical large-scale computation running for 48 h on a system consuming 20 MW, as predicted for exascale systems, would consume a million kWh, corresponding to about 100k Euro in energy cost for executing 10 23 floating-point operations. It is clearly unacceptable to lose the whole computation if any of the several million parallel processes fails during the execution. Moreover, if a single operation suffers from a bit-flip error, should the whole computation be declared invalid? What about the notion of reproducibility itself: should this core paradigm of science be revised and refined for results that are obtained by large-scale simulation? Naive versions of conventional resilience techniques will not scale to the exascale regime: with a main memory footprint of tens of Petabytes, synchronously writing checkpoint data all the way to background storage at frequent intervals will create intolerable overheads in runtime and energy consumption. Forecasts show that the mean time between failures could be lower than the time to recover from such a checkpoint, so that large calculations at scale might not make any progress if robust alternatives are not investigated. More advanced resilience techniques must be devised. The key may lie in exploiting both advanced system features as well as specific application knowledge. Research will face two essential questions: (1) what are the reliability requirements for a particular computation and (2) how do we best design the algorithms and software to meet these requirements? While the analysis of use cases can help understand the particular reliability requirements, the construction of remedies is currently wide open. One avenue would be to refine and improve on system- or application-level checkpointing and rollback strategies in the case an error is detected. Developers might use fault notification interfaces and flexible runtime systems to respond to node failures in an application-dependent fashion. Novel numerical algorithms or more stochastic computational approaches may be required to meet accuracy requirements in the face of undetectable soft errors. These ideas constituted an essential topic of the seminar. The goal of this Dagstuhl Seminar was to bring together a diverse group of scientists with expertise in exascale computing to discuss novel ways to make applications resilient against detected and undetected faults. In particular, participants explored the role that algorithms and applications play in the holistic approach needed to tackle this challenge. This article gathers a broad range of perspectives on the role of algorithms, applications and systems in achieving resilience for extreme scale simulations. The ultimate goal is to spark novel ideas and encourage the development of concrete solutions for achieving such resilience holistically.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Denoising Convolutional Networks to Accelerate Detector Simulation

The high accuracy of detector simulation is crucial for modern particle physics experiments. However, this accuracy comes with a high computational cost, which will be exacerbated by the large datasets and complex detector upgrades associated with next-generation facilities such as the High Luminosity LHC. We explore the viability of regression-based machine learning (ML) approaches using convolutional neural networks (CNNs) to "denoise" faster, lower-quality detector simulations, augmenting them to produce a higher-quality final result with a reduced computational burden. The denoising CNN works in concert with classical detector simulation software rather than replacing it entirely, increasing its reliability compared to other ML approaches to simulation. We obtain promising results from a prototype based on photon showers in the CMS electromagnetic calorimeter. Future directions are also discussed.

Banerjee, Sunanda↗
DOE OSTI2021

Denoising Convolutional Networks to Accelerate Detector Simulation [Poster]

The high accuracy of detector simulation is crucial for modern particle physics experiments. However, this accuracy comes with a high computational cost, which will be exacerbated by the large datasets and complex detector upgrades associated with next-generation facilities such as the High Luminosity LHC. We explore the viability of regression-based machine learning (ML) approaches using convolutional neural networks (CNN) to ``denoise'' faster, lower-quality detector simulations, augmenting them to produce a higher-quality final result with a reduced computational burden. The denoising CNN works in concert with classical detector simulation software rather than replacing it entirely, increasing its reliability compared to other ML approaches to simulation. We obtain promising results from a prototype based on photon showers in the CMS electromagnetic calorimeter. Future directions are also discussed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Radiometric Testing of Germicidal UV Products, Round 1: UV-C Towers and Whole-Room Luminaires (CALiPER Summary Report)

This summary report analyzes the independently tested performance of 13 germicidal ultraviolet (GUV) products purchased between February and July 2022. A companion full report (DOE 2023) provides additional information and discussion of the tested products, test methods, and results. The products were of three different types: • Seven portable, consumer-oriented GUV towers designed to be placed on the floor or a desk of an unoccupied room to disinfect air and surfaces. Five of these products used LED sources and two products had low-pressure mercury (LPM) sources. • One GUV whole-room luminaire designed to be installed on a ceiling to disinfect air when a room is occupied. This product had LED sources. • Five GUV troffer or high-bay style whole-room luminaires designed to be installed in or suspended from a ceiling to disinfect air and surfaces when a room is unoccupied. All five had LPM sources. Product testing covered radiometric and electrical performance for all 13 products as well as photobiological safety evaluation if product documentation included testable claims. Measurement results enable comparison between products and against manufacturer or vendor claims. Testing identified numerous issues related to the accuracy of claimed GUV product performance. Claims were often untestable, contradictory, ambiguous, or used incorrect units and/or terminology. When claims were testable, they often did not match test results. For example, three LED products that claimed to emit UV-C emitted only UV-A. Product claim issues were more common among consumer-oriented tower products, but all product types exhibited problems with accurate performance claims. The UV-C radiant efficiency (calculated as UV-C output power divided by electrical input power) of the products varied widely, even among similar products using the same source technologies. For example, the UV-C radiant efficiency of LPM products varied by greater than a factor of three for the same product type, indicating a large potential energy savings opportunity for products that are better designed for efficiency. LED products had orders-of-magnitude lower UV-C radiant efficiency than LPM products. This study also identified several testing challenges and limitations. Most significant among these is the capability to accurately test and report the performance of larger GUV products. Whereas integrating spheres are used to quickly measure total radiant flux (i.e., output power) and spectral distribution, goniometers are used to measure radiant intensity distribution (from which radiant flux can be calculated). Integrating spheres require a specialized and costly coating to test UV, and the testing laboratory for this round of products had only a 20-inch diameter hemisphere with this capability. The integrating sphere accommodated just 2 of the 10 UV-C emitting products. Goniometer testing had a different size limitation in that mirrors typically used to increase goniometer test distance to the far field reflect little to no UV. As a result, the study evaluated only 6 of 13 products in the far field. Electronic files of UV-C intensity data for the other 7 products, which would typically be imported into design software for designing GUV applications, may not be reliable for predicting irradiance at arbitrary far-field distances (IES 2022a; CIE 2020). Specifiers and buyers of GUV products need accurate performance claims and data to deploy GUV technology safely and effectively. This CALiPER GUV Round 1 report demonstrates the significant education and training manufacturers and vendors still require to accurately test and report the performance of their GUV products. Further industry standards and guidelines may address testing limitations and improve test methods, product performance, and the accuracy of performance claims.

42 ENGINEERING↗
DOE OSTI2023

Radiometric Testing of Germicidal UV Products, Round 1: UV-C Towers and Whole-Room Luminaires (CALiPER Full Report)

This report analyzes the independently tested performance of 13 germicidal ultraviolet (GUV) products purchased between February and July 2022. The products were of three different types: • Seven portable, consumer-oriented GUV towers designed to be placed on the floor or a desk of an unoccupied room to disinfect air and surfaces. Five of these products used LED sources and two products had low-pressure mercury (LPM) sources. • One GUV whole-room luminaire designed to be installed on a ceiling to disinfect air when a room is occupied. This product had LED sources. • Five GUV troffer or high-bay style whole-room luminaires designed to be installed in or suspended from a ceiling to disinfect air and surfaces when a room is unoccupied. All five had LPM sources. Product testing covered radiometric and electrical performance for all 13 products as well as photobiological safety evaluation if product documentation included testable claims. Measurement results enable comparison between products and against manufacturer or vendor claims. Testing identified numerous issues related to the accuracy of claimed GUV product performance. Claims were often untestable, contradictory, ambiguous, or used incorrect units and/or terminology. When claims were testable, they often did not match test results. For example, three LED products that claimed to emit UV-C emitted only UV-A. Product claim issues were more common among consumer-oriented tower products, but all product types exhibited problems with accurate performance claims. The UV-C radiant efficiency (calculated as UV-C output power divided by electrical input power) of the products varied widely, even among similar products using the same source technologies. For example, the UV-C radiant efficiency of LPM products varied by greater than a factor of three for the same product type, indicating a large potential energy savings opportunity for products that are better designed for efficiency. LED products had orders-of-magnitude lower UV-C radiant efficiency than LPM products. This study also identified several testing challenges and limitations. Most significant among these is the capability to accurately test and report the performance of larger GUV products. Whereas integrating spheres are used to quickly measure total radiant flux (i.e., output power) and spectral distribution, goniometers are used to measure radiant intensity distribution (from which radiant flux can be calculated). Integrating spheres require a specialized and costly coating to test UV, and the testing laboratory for this round of products had only a 20-inch diameter hemisphere with this capability. The integrating sphere accommodated just 2 of the 10 UV-C emitting products. Goniometer testing had a different size limitation in that mirrors typically used to increase goniometer test distance to the far field reflect little to no UV. As a result, the study evaluated only 6 of 13 products in the far field. Electronic files of UV-C intensity data for the other 7 products, which would typically be imported into design software for designing GUV applications, may not be reliable for predicting irradiance at arbitrary far-field distances (IES 2022a; CIE 2020). Specifiers and buyers of GUV products need accurate performance claims and data to deploy GUV technology safely and effectively. This CALiPER GUV Round 1 report demonstrates the significant education and training manufacturers and vendors still require to accurately test and report the performance of their GUV products. Further industry standards and guidelines may address testing limitations and improve test methods, product performance, and the accuracy of performance claims.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Electric Drive Technologies Research: ELT223 Component Modeling, Co-Optimization, and Trade-Space Evaluation Annual Report

This project is intended to support the development of new traction drive systems that meet the targets of 100 kW/L for power electronics and 50 kW/L for electric machines with reliable operation to 300,000 miles. To meet these goals, new designs must be identified that make use of state-of-the-art and next-generation electronic materials and design methods. Designs must exploit synergies between components, for example converters designed for high-frequency switching using wide band gap (WBG) devices and ceramic capacitors. This project included: (1) a survey of available technologies; (2) investigating new technologies, that for example, reduce volume of thermal management or magnetic components; (3) the development of computer aided design tools that consider the converter volume, reliability, and electrical performance; (4) exercising the design software to evaluate performance gaps and predict the impact of certain technologies and design approaches, i.e. GaN semiconductors, ceramic capacitors, ceramic thermal management components, and select topologies; (5) building and testing hardware prototypes to validate models and concepts. The design tools enable co-optimization of the power module and passive elements and provide some design guidance. At the end of the project, new advanced computing methods, such as machine learning approaches, were considered.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Radiometric Testing of Germicidal UV Products, Round 1: UV-C Towers and Whole-Room Luminaires (CALiPER Full Report)

This report analyzes the independently tested performance of 13 germicidal ultraviolet (GUV) products purchased between February and July 2022. The products were of three different types: • Seven portable, consumer-oriented GUV towers designed to be placed on the floor or a desk of an unoccupied room to disinfect air and surfaces. Five of these products used LED sources and two products used low-pressure mercury (LPM) sources. • One non-portable GUV whole-room luminaire designed to be installed on a ceiling to disinfect air when a room is occupied. This product used an LED source. • Five non-portable GUV troffer or high-bay style whole-room luminaires designed to be installed in or suspended from a ceiling to disinfect air and surfaces when a room is unoccupied. All five used LPM sources. Radiometric and electrical performance was evaluated for all 13 products. Photobiological safety was also assessed for two of the products because their documentation included testable claims. The test results were compared across products and to manufacturer or vendor claims. The testing identified many issues related to the accuracy of reported GUV product performance. Claims were often untestable, contradictory, ambiguous, or used incorrect units and/or terminology. And when claims were testable, they often did not match test results. For example, three products that claimed to emit UV-C emitted only UV-A. These product claim issues were more numerous with consumer-oriented tower products, but problems with accurate performance claims were found across all products. The UV-C radiant efficiency of the products varied widely, even among similar products using the same source technologies. For example, the UV-C radiant efficiency of LPM products varied by greater than a factor of three for the same product type, indicating a large potential energy savings opportunity for products that are better designed for efficiency. LED products had orders-of-magnitude lower UV-C radiant efficiency than LPM products. Several testing challenges and limitations were identified. Most significant among these is the capability to accurately test and report the performance of larger GUV products. Integrating spheres require a specialized and costly coating to test UV, and the testing laboratory for this round of products had only a 20-inch diameter hemisphere with this capability. Only 2 of the 10 UV-C emitting products could be tested in this sphere. Goniometer testing had a different size limitation in that mirrors typically used to increase goniometer test distance to the far field are not reflective of UV and therefore could not be used to increase test distance. As a result, 7 of 13 products could not be tested far field. The implication is that electronic files of UV-C intensity data typically imported into design software for designing GUV applications may not be reliable for predicting irradiance at arbitrary far-field distances. It is currently unclear if these are industry-wide testing laboratory limitations, and what solutions may exist to address them. Specifiers and buyers of GUV products will need accurate performance claims and data to safely and effectively deploy GUV technology to reduce the transmission of diseases in buildings. This CALiPER GUV Round 1 report demonstrates the significant education and training that is needed for manufacturers and vendors to accurately test and report the performance of their GUV products. Further standards and guidelines are needed to improve test methods, address testing limitations, and improve reporting of product performance. Additionally, the wide range in UV-C radiant efficiency of GUV products means there is a large energy-savings opportunity for more energy efficient GUV products.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Radiometric Testing of Germicidal UV Products, Round 1: UV-C Towers and Whole-Room Luminaires (CALiPER Summary Report)

This summary report analyzes the independently tested performance of 13 germicidal ultraviolet (GUV) products purchased between February and July 2022. A companion full report provides additional information and discussion of the tested products, test methods, and results. The products were of three different types: • Seven portable, consumer-oriented GUV towers designed to be placed on the floor or a desk of an unoccupied room to disinfect air and surfaces. Five of these products used LED sources and two products used low-pressure mercury (LPM) sources. • One non-portable GUV whole-room luminaire designed to be installed on a ceiling to disinfect air when a room is occupied. This product used an LED source. • Five non-portable GUV troffer or high-bay style whole-room luminaires designed to be installed in or suspended from a ceiling to disinfect air and surfaces when a room is unoccupied. All five used LPM sources. Radiometric and electrical performance was evaluated for all 13 products. Photobiological safety was also assessed for two of the products because their documentation included testable claims. The test results were compared across products and to manufacturer or vendor claims. The testing identified many issues related to the accuracy of reported GUV product performance. Claims were often untestable, contradictory, ambiguous, or used incorrect units and/or terminology. And when claims were testable, they often did not match test results. For example, three products that claimed to emit UV-C emitted only UV-A. These product claim issues were more numerous with consumer-oriented tower products, but problems with accurate performance claims were found across all products. The UV-C radiant efficiency of the products varied widely, even among similar products using the same source technologies. For example, the UV-C radiant efficiency of LPM products varied by greater than a factor of three for the same product type, indicating a large potential energy savings opportunity for products that are better designed for efficiency. LED products had orders-of-magnitude lower UV-C radiant efficiency than LPM products. Several testing challenges and limitations were identified. Most significant among these is the capability to accurately test and report the performance of larger GUV products. Integrating spheres require a specialized and costly coating to test UV, and the testing laboratory for this round of products had only a 20-inch diameter hemisphere with this capability. Only 2 of the 10 UV-C emitting products could be tested in this sphere. Goniometer testing had a different size limitation in that mirrors typically used to increase goniometer test distance to the far field are not reflective of UV and therefore could not be used to increase test distance. As a result, 7 of 13 products could not be tested far field. The implication is that electronic files of UV-C intensity data typically imported into design software for designing GUV applications may not be reliable for predicting irradiance at arbitrary far-field distances. It is currently unclear if these are industry-wide testing laboratory limitations, and what solutions may exist to address them. Specifiers and buyers of GUV products will need accurate performance claims and data to safely and effectively deploy GUV technology to reduce the transmission of diseases in buildings. This CALiPER GUV Round 1 report demonstrates the significant education and training that is needed for manufacturers and vendors to accurately test and report the performance of their GUV products. Further standards and guidelines are needed to improve test methods, address testing limitations, and improve reporting of product performance. Additionally, the wide range in UV-C radiant efficiency of GUV products means there is a large energy-savings opportunity for more energy efficient GUV products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

BootCMatch: A Software Package for Bootstrap AMG Based on GraphWeighted Matching

This article has two main objectives: one is to describe some extensions of an adaptive Algebraic Multigrid (AMG) method of the form previously proposed by the first and third authors, and a second one is to present a new software framework, named BootCMatch, which implements all the components needed to build and apply the described adaptive AMG both as a stand-alone solver and as a preconditioner in a Krylov method. The adaptive AMG presented is meant to handle general symmetric and positive definite (SPD) sparse linear systems, without assuming any a priori information of the problem and its origin; the goal of adaptivity is to achieve a method with a prescribed convergence rate. The presented method exploits a general coarsening process based on aggregation of unknowns, obtained by a maximum weight matching in the adjacency graph of the system matrix. More specifically, a maximum product matching is employed to define an effective smoother subspace (complementary to the coarse space), a process referred to as compatible relaxation, at every level of the recursive two-level hierarchical AMG process. Results on a large variety of test cases and comparisons with related work demonstrate the reliability and efficiency of the method and of the software.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Flexible Service Contracting for Risk Management within Integrated Transmission and Distribution Systems

The general objective of our project has been to investigate the ability of Independent Distribution System Operators (IDSOs), functioning as linkage agents for Integrated Transmission and Distribution (ITD) systems, to facilitate the flexible availability and usage of reserve in support of ITD system operations. This general objective is in accordance with Order 2222 of the U.S. Federal Energy Regulatory Commission (FERC), titled “Participation of Distributed Energy Resource Aggregations in Markets Operated by Regional Transmission Organizations and Independent System Operators”. The Final Rule for FERC Order 2222 was issued on September 17, 2020. The primary contribution of our project is that we have formulated an innovative energy management Transactive Energy Design (TES) approach for ITD systems that provides promising support for our project objective. Specifically, we have developed a new type of IDSO-managed TES design for distribution system operations, as well as new types of swing contracts permitting IDSOs to participate in transmission system operations as providers of reserve harnessed from distribution system resources in return for appropriate compensation. Together, these design elements constitute a scalable market-based approach facilitating efficient reserve procurement for ITD system operations from a fuller range of power resources. The efficacy of our approach has been demonstrated by means of detailed conceptual analyses as well as test case simulations. To implement the latter, we have developed the ITD TES Platform V2.0, a computational platform that permits the modeling and software implementation of ITD system operations over time. The Electric Reliability Council of Texas (ERCOT) energy region has been used as the empirical anchor for the development of this platform. Our conceptual and test-case work has been reported in a Wiley/IEEE Press book, two refereed book chapters, and seven refereed journal articles. The key components comprising the ITD TES Platform V2.0 have been released as documented open-source software at online GitHub repositories.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

2021 Small Turbine Certification Awardee: Intergrid LLC

Currently, there are no U.S., fully certified inverters for wind turbines in the 10-15-kilowatt (kW) range. The federal government's Competitiveness Improvement Project (CIP) and Small Business Innovation Research programs present the most viable paths for manufacturers in the distributed wind energy industry to conduct research, develop their products, and, ultimately, commercialize them. Through CIP, Intergrid LLC is reducing the cost, size, and weight of its legacy inverter for distributed wind turbines while increasing efficiency, reliability, and serviceability. To accomplish this, Intergrid will address three areas related to power electronics for distributed wind turbines: (1) Software verification and functional safety certification; (2) Simulation for grid-interconnecting testing; (3) Component alternatives that reduce cost and improve reliability and serviceability. The first two areas relate to long-term management of inverter software, which, for grid-connected inverters, must comply with three standards - one issued by Underwriters Laboratories (UL) and two issued by the Institute of Electrical and Electronics Engineers.

CIP↗
DOE OSTI2025

ADEPT: A Pedagogical Framework for Integrating Agentic AI with Deterministic Scientific Workflows

The integration of Large Language Models (LLMs) into scientific research promises to accelerate discovery, yet a significant gap remains between the dynamic reasoning of Artificial Intelligence (AI) agents and the static, deterministic nature of canonical scientific workflows. This paper introduces ADEPT (Agentic Discovery and Exploration Platform for Tools), a reference architecture and pedagogical framework explicitly designed to bridge this gap. ADEPT's primary mission is to provide a transparent, "glass-box" environment where researchers and engineers can learn to effectively wrap established scientific software (e.g., BLAST, Nextflow pipelines) and compose it into reliable, agent-driven workflows. We describe its modular, multi-server architecture, which leverages the Model Context Protocol (MCP) for tool serving, LangGraph for robust agentic orchestration, and a secure nsjail-based sandbox for safe code execution. By prioritizing architectural clarity, safety, and modularity, ADEPT serves as an extensible blueprint for building trustworthy AI-augmented systems and fosters the collaborative development necessary to responsibly employ agentic AI for science. We provide practical examples of how to adapt and extend this framework, highlighting its utility in workforce development and AI-readiness capabilities across research and development projects.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Methodology for Building Granular Testing in Multicomponent Scientific Software

Computational science and engineering communities develop complex application software with multiple mathematical models that need to interact with one another. Partly due to complexity of verifying scientific software, and partly because of the way incentives work in science, there has been insufficient testing of these codes. With a spotlight on the results produced with scientific software, and increasing awareness of software testing and verification as a critical contributor to the reliability of these results, testing is gaining more attention by the developing teams. However, many science teams struggle to find a good solution for themselves due either to lack of training or lack of resources within the team. In this experience paper, we describe test development methodologies utilized in two different scenarios: one explains a methodology for building granular tests where none existed before, while the second demonstrates a methodology for selecting test cases that build confidence in the software through a process similar to scaffolding. The common insight from both the experiences is that testing should be a part of software design from the beginning for better software and scientific productivity.

test building, granular testing, Earth system mode↗
DOE OSTI2019

CIAE-ANL CRADA for SFR SAFETY ANALYSIS: Final CRADA Report

The purpose of this project is joint verification and validation of system analysis code capabilities for Sodium-cooled Fast Reactor (SFR) design and licensing. As the researchers and code developers at the Argonne National Laboratory (ANL) and China Institute of Atomic Energy (CIAE) independently build their own SFR system analysis capabilities, this collaboration facilitated exchange of information on, and evaluation of alternative approaches for, modeling the key phenomena (such as decay heat removal and natural circulation) and the safety-related components (such as pumps, heat exchangers, and outlet plenum) common in SFR systems. The analysis at ANL and CIAE also applied their respective computational capabilities and methods (in SAS4A/SASSYS-1 computer code at ANL and FR-Sdaso computer code at CIAE) on jointly identified benchmark problems for verification, and publicly available integral tests for validation, of their results. ANL team also shared the expertise on the established software quality assurance practices and the techniques for component reliability estimates to support probabilistic risk assessments.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗