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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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DOE OSTI2014

RELAP5-3D Developer Guidelines and Programming Practices

Our ultimate goal is to create and maintain RELAP5-3D as the best software tool available to analyze nuclear power plants. This begins with writing excellent programming and requires thorough testing. This document covers development of RELAP5-3D software, the behavior of the RELAP5-3D program that must be maintained, and code testing. RELAP5-3D must perform in a manner consistent with previous code versions with backward compatibility for the sake of the users. Thus file operations, code termination, input and output must remain consistent in form and content while adding appropriate new files, input and output as new features are developed. As computer hardware, operating systems, and other software change, RELAP5-3D must adapt and maintain performance. The code must be thoroughly tested to ensure that it continues to perform robustly on the supported platforms. The coding must be written in a consistent manner that makes the program easy to read to reduce the time and cost of development, maintenance and error resolution. The programming guidelines presented her are intended to institutionalize a consistent way of writing FORTRAN code for the RELAP5-3D computer program that will minimize errors and rework. A common format and organization of program units creates a unifying look and feel to the code. This in turn increases readability and reduces time required for maintenance, development and debugging. It also aids new programmers in reading and understanding the program. Therefore, when undertaking development of the RELAP5-3D computer program, the programmer must write computer code that follows these guidelines. This set of programming guidelines creates a framework of good programming practices, such as initialization, structured programming, and vector-friendly coding. It sets out formatting rules for lines of code, such as indentation, capitalization, spacing, etc. It creates limits on program units, such as subprograms, functions, and modules. It establishes documentation guidance on internal comments. The guidelines apply to both existing and new subprograms. They are written for both FORTRAN 77 and FORTRAN 95. The guidelines are not so rigorous as to inhibit a programmer’s unique style, but do restrict the variations in acceptable coding to create sufficient commonality that new readers will find the coding in each new subroutine familiar. It is recognized that this is a “living” document and must be updated as languages, compilers, and computer hardware and software evolve.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Gleipnir: toward practical error analysis for Quantum programs

Practical error analysis is essential for the design, optimization, and evaluation of Noisy Intermediate-Scale Quantum(NISQ) computing. However, bounding errors in quantum programs is a grand challenge, because the effects of quantum errors depend on exponentially large quantum states. In this work, we present Gleipnir, a novel methodology toward practically computing verified error bounds in quantum programs. Gleipnir introduces the (ρ,δ)-diamond norm, an error metric constrained by a quantum predicate consisting of the approximate state ρ and its distance δ to the ideal state ρ. This predicate (ρ,δ) can be computed adaptively using tensor networks based on the Matrix Product States. Gleipnir features a lightweight logic for reasoning about error bounds in noisy quantum programs, based on the (ρ,δ)-diamond norm metric. Furthermore, our experimental results show that Gleipnir is able to efficiently generate tight error bounds for real-world quantum programs with 10 to 100 qubits, and can be used to evaluate the error mitigation performance of quantum compiler transformations.

Tao, Runzhou↗
DOE OSTI2024

Developing an Interactive OpenMP Book with Large Language Models

Abstract. This paper presents an approach to authoring a textbook titled Interactive OpenMP Programming with the assistance of Large Language Models (LLMs). The writing process utilized state-of-the-art LLMs, including Gemini Pro 1.5, Claude 3, and ChatGPT-4, to generate the initial structure and outline of the book, as well as the initial content for specific chapters. This content included detailed descriptions of individual OpenMP constructs and practical programming examples. The outline and content have then undergone extensive manual revisions to meet our book goals. In this paper, we report our findings about the capabilities and limitations of these LLMs. We address critical questions concerning the necessity of textbook resources and the effectiveness of LLMs in creating fundamental and practical programming content. Our findings suggest that while LLMs offer significant advantages in generating textbook content, they require careful integration with traditional educational methodologies to ensure depth, accuracy, and pedagogical effectiveness. The Interactive OpenMP Programming book is developed with the framework of Jupyter Book, enabling the execution of code within the book from the web browser, providing instant feedback and a dynamic learning experience that stands in contrast to traditional educational resources. The book represents a significant step towards modernizing programming education, offering insights into practical strategies for generating the textbook through advanced AI tools.

Large Language Model · OpenMP · Interactive Book ·↗
DOE OSTI2025

Practical Probabilistic Programming

Recent advances in probabilistic programming languages (PPLs) have provided the capability for exact inference: computing a closed-form probability distribution for a given probabilistic program. In particular, the new language Roulette uses a language oriented programming (LOP) approach, wherein analysts build new programming languages on top of a set of primitives provided by Roulette, which then translates these structures into a weighted model counting problem which can be solved by automated reasoning tools. However, because Roulette provides few convenience features, developing these new languages is challenging even for expert users. We developed a standard library of common probability functions for Roulette with the goal of improved usability. This included approximation of continuous probability density functions using discrete probability mass functions. We demonstrated this approach by modeling a cosmic ray striking a RAM controller. We found that Roulette provides a powerful interface for highly expressive probabilistic programs to be generated. In collaboration with the NNSA Advanced Simulation and Computing program, which resulted in development of a tool called Circulette, we were able to model complex circuits expressed in Verilog using probabilistic programs with an expressivity not previously possible. Our research question that motivated the development of a Roulette standard library was to determine whether non-experts could use a PPL to model relevant problems regarding radiation effects on microelectronics. This standard library improved the expressivity of Roulette by implementing common probability density functions, mathematical operators on distributions, and support for empirical distributions. While Roulette is a powerful modeling language, the untyped, LOP approach makes error messages difficult to understand and requires expert aid. We recommend further research on Roulette, especially with its error messages, to enable improved usability. At the same time, this project demonstrated that for users familiar with Roulette and the LOP approach, Roulette provides powerful new capabilities that can be integrated with other Sandia modeling capabilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Driving Affordable Decarbonization: Inclusive Utility Program Designs for Disadvantaged Communities

Our research team worked with 17 utility partners from various U.S. regions to study current utility program practices. We identified the key characteristics of these programs and the challenges and opportunities in implementing them. Through our research, we provide a pragmatic, design-oriented, and customer-centered perspective for effective program design and implementation. We identify 13 successful characteristics of program design that may be considered by utility partners.

disadvantaged communities↗
DOE OSTI2025

Equitable Resilience: Opportunities to Advance Solar Paired with Battery Storage in Historically Marginalized Communities

This report was produced as part of the Equitable Solar Communities of Practice program through the U.S. Department of Energy (DOE) Solar Energy Technologies Office (SETO). Clean Energy Group (CEG) managed the Resilience, Storage, and Grid Benefits Community of Practice, which aimed to research, evaluate, and identify opportunities to scale the meaningful benefits of solar paired with battery storage in historically marginalized communities. The report is designed to 1) educate a broad audience on the benefits of solar paired with battery storage, 2) identify barriers to deploying solar paired with battery storage in historically marginalized communities, 3) amplify early-adopters and innovative programs that support battery storage access across the nation, and 4) recommend best practices for programs and policies to adopt in advancing equitable access to solar and battery storage technologies.

14 SOLAR ENERGY↗
DOE OSTI2016

Light Water Reactor Sustainability Program: Evaluation of Localized Cable Test Methods for Nuclear Power Plant Cable Aging Management Programs

This Pacific Northwest National Laboratory (PNNL) milestone report describes progress to date on the investigation of nondestructive test (NDE) methods focusing particularly on local measurements that provide key indicators of cable aging and damage. The work includes a review of relevant literature as well as hands-on experimental verification of inspection capabilities. As NPPs consider applying for second, or subsequent, license renewal (SLR) to extend their operating period from 60 years to 80 years, it important to understand how the materials installed in plant systems and components will age during that time and develop aging management programs (AMPs) to assure continued safe operation under normal and design basis events (DBE). Normal component and system tests typically confirm the cables can perform their normal operational function. The focus of the cable test program is directed toward the more demanding challenge of assuring the cable function under accident or DBE. Most utilities already have a program associated with their first life extension from 40 to 60 years. Regrettably, there is neither a clear guideline nor a single NDE that can assure cable function and integrity for all cables. Thankfully, however, practical implementation of a broad range of tests allows utilities to develop a practical program that assures cable function to a high degree. The industry has adopted 50% elongation at break (EAB) relative to the un-aged cable condition as the acceptability standard. All tests are benchmarked against the cable EAB test. EAB is a destructive test so the test programs must apply an array of other NDE tests to assure or infer the overall set of cable’s system integrity. These cable NDE programs vary in rigor and methodology. As the industry gains experience with the efficacy of these programs, it is expected that implementation practice will converge to a more common approach. This report addresses the range of local NDE cable tests that are or could be practically implemented in a field test situation. These tests include: visual, infrared thermography, interdigital capacitance, indenter, relaxation time indenter, dynamic mechanical analyzer, infrared/near-infrared spectrometry, ultrasound, and distributed fiber optic temperature measurement.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Strategic Energy Management Program Persistence and Cost Effectiveness An Analysis of the SEM Program Landscape

This study examines the relationship between strategic energy management (SEM) programs and their persistence and cost effectiveness, with analysis based on interview data from 24 SEM program administrators, SEM program evaluations, and other reports. The 80 interview questions focused on the topics of program design, energy savings, energy savings persistence, cost effectiveness, and customer SEM persistence. The generosity of interview respondents provided a wealth of data, resulting in a report of sufficient length to warrant inclusion of this brief guide of the report structure. The major sections are listed below with brief descriptions. Individual sections of this report are mainly stand-alone and do not require reading of other sections. As a result, there is some duplication between sections, but with differing levels of detail. Executive Summary: Presents three key conclusions of this work with a short description of potential actions to advance the understanding of each key finding. Brief Observations: Lists a large number of bulleted observations resulting from this research, arranged by the five major topic areas included in the interviews. Analysis details are provided in the Analysis of Interview Results section. Foundations for this Research: Provides an overview of SEM, SEM frameworks, SEM programs, the topics of persistence and cost effectiveness, and the focus of this research. Methodology: Details the approach and strategy of this research, providing background information relevant to the formulation of interview questions and the identification of which SEM programs to interview. Observations from Compiled Evaluations and Other Reports: Reports observations from the collection and analysis of program evaluations, annual reports, utility planning documents, and SEM-related white papers. This section, presented in bullet form, highlights challenges in data collection and ultimately a comparison of program practices as they pertain to persistence and cost effectiveness. Analysis of Interview Results: Presents detailed analysis of responses from SEM program administrators, arranged by the five major categories examined: program design, energy savings, energy savings persistence, cost effectiveness, and customer SEM persistence. Interview questions are generally grouped together into subsections when it makes sense to examine them together. SEM Programs Challenge Traditional Cost-Effectiveness Metrics: Details an analysis based on five key factors showing that applying traditional cost-effectiveness metrics to SEM programs is not straightforward. This invites the opportunity to consider whether traditional cost-effectiveness metrics are applicable to SEM programs, either individually or at large. Resolution of Research Hypotheses: Tabulates a set of hypotheses that were developed to address the fundamental nature of the research at hand. Analysis of responses to multiple questions informs an understanding of each hypothesis and can be used to better understand the SEM program environment at large.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Fullrmc, a rigid body reverse monte carlo modeling package enabled with machine learning and artificial intelligence

Here, a new Reverse Monte Carlo (RMC) package ‘fullrmc’ for atomic or rigid body and molecular, amorphous or crystalline materials is presented. fullrmc main purpose is to provide a fully modular, fast and flexible software, thoroughly documented, complex molecules enabled, written in a modern programming language (python, cython ,C and C++ when performance is needed) and complying to modern programming practices. fullrmc approach in solving an atomic or molecular structure is different from existing RMC algorithms and software. In a nutshell, traditional RMC methods and software randomly adjust atom positions until the whole system has the greatest consistency with a set of experimental data. In contrast, fullrmc applies smart moves endorsed with reinforcement machine learning to groups of atoms. While fullrmc allows running traditional RMC modelling, the uniqueness of this approach resides in its ability to customize grouping atoms in any convenient way with no additional programming efforts and to apply smart and more physically meaningful moves to the defined groups of atoms. Also fullrmc provides a unique way with almost no additional computational cost to recur a group’s selection, allowing the system to go out of local minimas by refining a group’s position or exploring through and beyond not allowed positions and energy barriers the unrestricted three dimensional space around a group.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Assessment of NDE for Key Indicators of Aging Cables in Nuclear Power Plants – Interim Status

Degradation of the cable jacket, electrical insulation, and other cable components of installed cables within nuclear power plants (NPPs) is known to occur as a function of age, temperature, radiation, and other environmental factors. System tests verify cable function under normal loads; however, the concern is over cable performance under exceptional loads associated with design-basis events (DBEs). The cable’s ability to perform safely over the initial 40 year planned and licensed life has generally been demonstrated and there have been very few age-related cable failures. With greater than 1000 km of power, control, instrumentation, and other cables typically found in an NPP, replacing all the cables would be a severe cost burden. Justification for life extension to 60 and 80 years requires a cable aging management program to justify cable performance under normal operation as well as accident conditions. Currently the gold standard for determining cable insulation degradation is the elongation-at-break (EAB). This, however, is an ex-situ measurement and requires removal of a sample for laboratory investigation. A reliable nondestructive examination (NDE) in-situ approach is desirable to objectively determine the suitability of the cable for service. A variety of tests are available to assess various aspects of electrical and mechanical cable performance, but none of these tests are suitable for all cable configurations nor does any single test confirm all features of interest. Nevertheless, the complete collection of test possibilities offers a powerful range of tools to assure the integrity of critical cables. Licensees and regulators have settled on a practical program to justify continued operation based on condition monitoring of a lead sample set of cables where test data is tracked in a database and the required test data are continually adjusted based on plant and fleet-wide experience. As part of the Light Water Reactor Sustainability program sponsored by the U.S. Nuclear Regulatory Commission, the U.S. Department of Energy, and industry (represented by the Electric Power Research Institute), an assessment of cable NDE methods was commissioned. Technologies include both bulk electrical measurements (Tan d, time domain reflectometry, frequency domain reflectometry (FDR), partial discharge, and other techniques) and local insulation measurement (indenter, dynamic mechanical analysis interdigital capacitance, infrared spectral measurement, etc.). This aging cable NDE program update reviews the full range of techniques but focuses on the most interesting test approaches that have a chance to be deployed in-situ, particularly including Tan d, FDR, and ultrasound methods that have been reviewed most completely in this progress period.

cable aging inspection↗
DOE OSTI2018

Bringing Safety to Chemistry for Life

Recently, the chemistry enterprise as a whole has experienced a monumental shift in the way that it understands and approaches safety, both within society and as part of the science of chemistry. The American Chemical Society (ACS) has embraced this change and has committed to modelling it by incorporating “safety” into its core values. In early 2018, a Safety Summit involving stakeholders from across the chemistry enterprise was convened to consider strategies for “accelerating the adoption of an ethos of safety across the chemical enterprise”. The summit concluded in a better understanding of the factors influencing the implementation of safe chemical practices, programs in progress to effect change in this area, and gaps where additional effort is needed. Opportunities were identified where the ACS could make a meaningful impact on chemical safety and which aligned with the goals of the Society. Here, we will describe how the ACS strategic plan addresses the chemical safety challenges in relation to both historical influences and the current environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Relationship between student selection criteria and learner success for medical dosimetry students

Medical dosimetry education occupies a specialized branch of allied health higher education. Noted international shortages of health care workers, reduced university funding, limitations on faculty staffing, trends in learner attrition, and increased enrollment of nontraditional students force medical dosimetry educational leadership to reevaluate current admission practices. Program officials wish to select medical dosimetry students with the best chances of successful graduation. The purpose of the quantitative ex post facto correlation study was to investigate the relationship between applicant characteristics (cumulative undergraduate grade point average (GPA), science grade point average (SGPA), prior experience as a radiation therapist, and previous academic degrees) and the successful completion of a medical dosimetry program, as measured by graduation. A key finding from the quantitative study was the statistically significant positive correlation between a student's previous degree and his or her successful graduation from the medical dosimetry program. Future research investigations could include a larger research sample, representative of more medical dosimetry student populations, and additional studies concerning the relationship of previous work as a radiation therapist and the effect on success as a medical dosimetry student. Based on the quantitative correlation analysis, medical dosimetry leadership on admissions committees could revise student selection rubrics to place less emphasis on an applicant's undergraduate cumulative GPA and increase the weight assigned to previous degrees.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2018

A Publicly Available Landscape Analysis Tool for Biodefense Policy

Outbreaks of infectious diseases, coupled with an increasing biological threat from non-state actors, highlight the continued need to prioritize biodefense. The Blue Ribbon Panel on Biodefense has noted that the US remains ‘underprepared’ for a catastrophic biological attack or pandemic and emphasized increased coordination is essential. Consistent with this recommendation, the FY17 National Defense Authorization Act tasked the Secretaries of Defense, Health and Human Services, Homeland Security, and Agriculture to “jointly develop a national biodefense strategy and associated implementation plan, which shall include a review and assessment of biodefense policies, practices, programs and initiatives.”

Omberg, Kristin M.↗
DOE OSTI2017

Akatosh: Automated Cyber Incident Verification and Impact Analysis

Akatosh, a U.S. Department of Homeland Security Transition to Practice Program (TTP) project developed by Oak Ridge National Laboratory with industry and academic partnership, enables automated, real-time forensic analysis of endpoints after malware-attacks and other cyber security incidents by automatically maintaining detailed snapshots of host-level activity on endpoints over time. It achieves this by integrating intrusion detection systems (IDS) with forensic tools. The combination allows Akatosh to collect vast amounts of endpoint data and assists in verifying, tracking, and analyzing endpoints in real time. This provides operations personnel and analysts as well as managers and executives with continuous feedback on the impact of malicious software and other security incidents on endpoints in their network.

Smith, Jared M.↗
DOE OSTI2024

Replication Package for "Union-Find and Usability: A Case Study and Analysis of Rust Formal Verifier

This replication package is a case study on automated deductive verification for Rust for practical programs. It is a companion artifact to a corresponding usability study on verification titled "Union-Find and Usability: A Case Study and Analysis of Rust Formal Verifiers". It seeks to answer the question "Can Rust developers today use Rust verifiers to verify their code?". To answer this question, the study contrasts the verification experience of two mature Rust verifiers, Creusot and Prusti, by using the tools to develop a verified implementation of union-find in Rust. The union-find implementation is based on real-world code as used in the popular egg E-graph library. The artifact consists of two different verified libraries, one using Creusot and one using Prusti. The libraries have similar Rust interfaces and high-level proofs but differ in their details: Creusot and Prusti have different annotation languages and support different proof styles. Each implementation can be verified with its respective tool and compiles as a traditional Rust development.

Sarracino, John↗