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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

NWGraph: A Library of Generic Graph Algorithms and Data Structures in C++20

The C++ Standard Library is a valuable collection of generic algorithms and data structures that improves the usability and reliability of C++ software. Graph algorithms and data structures are notably absent from the standard library, and previous attempts to fill this gap have not gained widespread adoption. In this paper we show that the richness of graph algorithms and data structures can in fact be captured by straightforward composition of existing C++ mechanisms. Generic programming is algorithm-oriented. Accordingly, we apply a systematic approach to analyzing a broad set of graph algorithms, “lift” unnecessary constraints from them, and organize the resulting set of minimal common type requirements, i.e., concepts, for defining their interfaces. By using the newly available ranges and concepts in C++20, the type requirements for generic graph algorithms can be succinctly expressed. The generic algorithms and data structures resulting from our analysis are realized in NWGraph, in a modern, composable, and extensible C++ library.

graphs and networks, programming language, C++20↗
DOE OSTI2019

Moore vs. Murphy: Tradeoffs between complexity and reliability in distributed energy system scheduling using software-as-a-service

Software-based optimization of building control strategies, including scheduling, has the potential to improve the performance of existing complex heating, ventilation, and air conditioning (HVAC), storage, and other systems—especially if temporally variable energy production, such as solar thermal or photovoltaics, is included. If reductions in energy bills can be achieved using optimized control strategies that take advantage of cost-saving opportunities, such as time-of-use pricing, the additional bill savings can cover further efficiency investment costs. As computer processing becomes cheaper over time (Moore's Law), opportunities to perform complex control optimization become more abundant, and these can be performed remotely as software-as-a-service (SaaS). However, by “perfecting” our control strategies, we run an increased risk that when something unexpected happens (Murphy's Law), the consequences of failure are greater. This study used simulation to explore the potential benefits of HVAC schedule optimization, delivery, and implementation using a SaaS paradigm, at various levels of complexity. Implementing optimal schedules in a model of an efficient building's HVAC system, the study predicts energy cost savings of up to 10% compared to the naïve reference control strategy. Optimizing more system control variables increases the potential energy cost savings; however, these savings could be compromised by failures in communication inherent in delivering schedules via SaaS. The additional cost of energy resulting from the risk of increased demand charges generally increased with increased communication failure to a much larger extent than the risk of increased energy use charges. This work suggests that moderate improvements in performance, achieved at low cost by simple means, may be more effective than highly optimized schemes, which are more susceptible to failure due to their dependence on complex interactions between systems.

42 ENGINEERING↗
DOE OSTI2018

Comparison of Patient Skin Dose Evaluated Using Radiochromic Film and Dose Calculation Software

PurposeTo compare, in an interventional radiology setting, peak skin doses (PSDs) delivered as calculated using a dedicated software tool and as measured using radiochromic film. To assess the utility of this dose calculation software tool in routine clinical practice.Materials and MethodsFirst, radiochromic films were positioned on the examination table in the back of an adult anthropomorphic phantom to measure PSD, and X-ray examinations were simulated. Then, films were again positioned in the patient’s back for 59 thoracic or abdominopelvic endovascular interventions. The results obtained with the radiochromic films were taken as a reference and were statistically compared with those of the software.ResultsWith measured PSDs ranging from 100 to 7000 mGy, the median software–film difference was 8.5%. Lin’s concordance coefficient was 0.98 [0.97; 0.99] (p < 0.001), meaning that concordance was excellent between the two methods. For the films where PSD exceeded 1000 mGy, the median difference in the measured value was 8.7% [− 1.3; 21.1], with a maximum discrepancy of 34%. Lin’s concordance coefficient was 0.98 [0.96; 1] (p < 0.001), meaning that concordance was excellent between the two methods.ConclusionComparison between radiochromic films and the software tool showed that the software is a suitable tool for a simple and reliable estimation of PSD. The software seems to be a good alternative to films, whose use remains complex.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

In‐memory integration of existing software components for parallel adaptive unstructured mesh workflows

Summary Reliable mesh‐based simulations are needed to solve complex engineering problems. Mesh adaptivity can increase reliability by reducing discretization errors but requires multiple software components to exchange information. Often, components exchange information by reading and writing a common file format. This file‐based approach becomes a problem on massively parallel computers where filesystem bandwidth is a critical performance bottleneck. Our approach using data streams and component interfaces avoids the filesystem bottleneck. In this paper, we present these techniques and their use for coupling mesh adaptivity to the PHASTA computational fluid dynamics solver, the Albany multi‐physics framework, and the Omega3P linear accelerator frequency analysis applications. Performance results are reported on up to 16,384 cores of an Intel Knights Landing‐based system.

Smith, Cameron W.↗
DOE OSTI2019

A Reliability Study on the ALERTUS Emergency Management Notification System

Sandia National Laboratories conducted a reliability analysis on the Alertus mass notification system to determine if improvements need to be made to the system to increase reliability. The Alertus mass notification system for Building 803 was analyzed with a set number of components. The components, their associated failure modes and failure mode rates were inputted into a fault tree in the SAPHIRE software which calculated the reliability of the system to be 0.998269.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Semiconductor Reliability Testing Data Management

iT2 Technologies is a startup developing analytical software and creating automated workflow environment in the area of big data in IC reliability. The main beneficiaries of the iT2 software will be the semiconductor companies as they will see significant savings in terms of time and cost. They will be able to efficiently perform the analysis of large amount of reliability data. A better standard of reliability and quality will also lead to the improvement in public safety in consumer, automotive, medical, and military applications. Smarter and thorough testing will reduce the risk of faulty hardware getting into the hands of the end users. The software is being developed and designed within the United States and will help keep the prominence of US in the cutting edge of high tech space. iT2 is establishing strong relations with its potential customers thanks to its key players being involved in this industry for the past several years and, thus, having a deep understanding of the market. The target clients will be all major semiconductor suppliers such as Intel, Qualcomm, Texas Instruments, OnSemi, and Broadcom and their customers including Apple, Cisco, IBM, HP, and Dell. The iT2 software will be used in a business-to-business environment for sharing engineering data and communicating results between these two classes of customers - some of which are participating in the beta testing of the iT2 software.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

SMATool: Strength of materials analysis toolkit

The study of the strength of materials is a cornerstone in material science and engineering, playing a critical role in shaping the progress and application of materials in diverse industrial sectors. The strength of a material is meticulously examined to understand the behavior of the material under different stress conditions and environments, thereby guiding material selection and structural design. Herein, we introduce the SMATool, a computational toolkit for the efficient calculation and analysis of material strength at both zero and finite temperatures for 3D, 2D, 1D, and tubular 2D-based nanostructures and nanotubes, as well as 1D nanoribbons. The toolkit is capable of calculating tensile, shear, ultimate, yield, and indentation (Vickers' hardness) strengths in various dimensions, as well as the energy storage capacity. We conducted several calculations both at zero and finite temperatures to validate the accuracy and reliability of the developed software. Here, the results show that the SMATool package provides accurate predictions that align with existing data on material strength. SMATool integrates seamlessly with widely used electronic structure codes like VASP and Quantum Espresso, providing a user-friendly interface catering to academic researchers and industry professionals.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Bridging the Gap between the X-ray Absorption Spectroscopy and the Computational Catalysis Communities in Heterogeneous Catalysis: A Perspective on the Current and Future Research Directions

X-ray absorption spectroscopy (XAS) [extended X-ray absorption fine structure (EXAFS) and X-ray absorption near-edge structure (XANES)] is a key technique within the heterogeneous catalysis community to probe the structure and properties of the active site(s) for a diverse range of catalytic materials. Furthermore, the interpretation of the raw experimental data to derive an atomistic picture of the catalyst requires modeling and analysis; the EXAFS data are compared to a model, and a goodness of fit parameter is used to judge the best fit. This EXAFS modeling can often be nontrivial and time-consuming; overcoming or improving these limitations remains a central challenge for the community. Considering these limitations, this Perspective highlights how recent developments in analysis software, increased availability of reliable computational models, and application of data science tools can be used to improve the speed, accuracy, and reliability of EXAFS interpretation. In particular, we emphasize the advantages of combining theory and EXAFS as a unified technique that should be treated as a standard (when applicable) to identify catalytic sites and not two separate complementary methods. Building on the recent trends in the computational catalysis community, we also present a community-driven approach to adopt FAIR Guiding Principles for the collection, analysis, dissemination, and storage of XAS data. Written with both the experimental and theory audience in mind, we provide a unified roadmap to foster collaborations between the two communities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Scientific Computation Application Partnerships in Materials and Chemical Sciences, Charge Transfer and Charge Transport in Photoactivated Systems, Developing Electron-Correlated Methods for Excited State Structure and Dynamics in the NWChem Software Suite

Charge transfer and charge transport in photoactivated systems are fundamental processes that underlie solar energy capture, solar energy conversion, and photoactivated catalysis, both organometallic and enzymatic. We developed methods, algorithms, and software tools needed for reliable treatment of the underlying physics for charge transfer and charge transport, an undertaking with broad applicability to the goals of the fundamental-interaction component of the Department of Energy Office of Basic Energy Sciences and the exascale initiative of the Office of Advanced Scientific Computing Research.

14 SOLAR ENERGY↗
DOE OSTI2018

Frameworks, Algorithms, and Scalable Technologies for Mathematics (FASTMath) SciDAC Institute

The FASTMath SciDAC Institute addressed two key challenges that application scientists faced at the beginning of SciDAC-3. First, FASTMath helped them continue to improve the quality of their simulations by increasing accuracy and reliability of both their software and algorithms. Second, FASTMath helped them adapt their computations to make effective use of high-end computing facilities acquired by DOE over the past five years. This required the development of new mathematical algorithms that were appropriate for the physics problems being solved, implementations that scaled to million-way parallelism, and software that effectively leveraged both distributed memory and on-node parallelism. The Rensselaer Polytechnic Institute team’s efforts focused on the unstructured mesh technologies developed by FASTMath.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Upgrade of Core Conduction Cooldown Test Facility Control System

The CCCTF was designed and installed at ORNL in the 1990s for high-temperature gas-cooled reactor accident simulation. It is located within a modular hot cell housed in the IFEL facility. In 2008 and 2009, modifications were made to the CCCTF in preparation for AGR safety testing. A new airlock was designed and installed to better support periodic exchange of the fission product deposition cups while maintaining the fuel at safety test temperature, and modifications were made to add routines to the existing user interface software for computer-controlled automation of the He sweep gas flow and liquid nitrogen supply to the 85Kr cold traps. However, the furnace control hardware and software remained essentially unchanged. At the conclusion of the AGR-1 and AGR-2 PIE campaigns, continued use of the CCCTF was in question because of the gradual obsolescence of the hardware and software used to control the furnace and ancillary systems that make up the CCCTF. Therefore, an effort was undertaken to replace all the obsolete components with new hardware and update the software to increase system reliability and ensure this capability’s maintenance for future research and fuel qualification efforts. The modifications included creating a new National Instruments (NI) LabVIEW-based control system with a graphical user interface (GUI).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

StructuredFuzzer: Fuzzing Structured Text-Based Control Logic Applications

Rigorous testing methods are essential for ensuring the security and reliability of industrial controller software. Fuzzing, a technique that automatically discovers software bugs, has also proven effective in finding software vulnerabilities. Unsurprisingly, fuzzing has been applied to a wide range of platforms, including programmable logic controllers (PLCs). However, current approaches, such as coverage-guided evolutionary fuzzing implemented in the popular fuzzer American Fuzzy Lop Plus Plus (AFL++), are often inadequate for finding logical errors and bugs in PLC control logic applications. They primarily target generic programming languages like C/C++, Java, and Python, and do not consider the unique characteristics and behaviors of PLCs, which are often programmed using specialized programming languages like Structured Text (ST). Furthermore, these fuzzers are ill suited to deal with complex input structures encapsulated in ST, as they are not specifically designed to generate appropriate input sequences. This renders the application of traditional fuzzing techniques less efficient on these platforms. To address this issue, this paper presents a fuzzing framework designed explicitly for PLC software to discover logic bugs in applications written in ST specified by the IEC 61131-3 standard. The proposed framework incorporates a custom-tailored PLC runtime and a fuzzer designed for the purpose. We demonstrate its effectiveness by fuzzing a collection of ST programs that were crafted for evaluation purposes. We compare the performance against a popular fuzzer, namely, AFL++. The proposed fuzzing framework demonstrated its capabilities in our experiments, successfully detecting logic bugs in the tested PLC control logic applications written in ST. On average, it was at least 83 times faster than AFL++, and in certain cases, for example, it was more than 23,000 times faster.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Probabilistic Risk Assessment of Flexible Power Operation of a Nuclear Power Plant

Nuclear power plants (NPPs) are becoming cost prohibitive to operate. This is due to historically low natural gas prices and wind and solar prices often being less than the marginal cost of operating baseload coal and NPPs, which sometimes forces NPPs to pay for the electricity they create. Thus, the feasibility of using part of the heat from an NPP to create other commodities such as hydrogen is being evaluated; operating in this way is called flexible power operation (FPO). To change the NPP design and operation, a license review must happen. Part of the review is the Probabilistic Risk Assessment (PRA) which proves the safety of the design and operation by identifying sequences of events that result in plant failure and estimating their likelihood of occurrence. A Level 1 PRA model that evaluates the risk of removing heat from the secondary side of NPP was created. The model was developed using Systems Analysis Program for Hands-On Integrated Reliability Evaluations (SAPHIRE 8) software to calculate core damage frequency (CDF). It is a fault tree that represents the possible pathways that could lead to a loss of steam inventory in the secondary loop. A loss of steam inventory can induce steam generator tube rupture or other events that activates response systems to avoid core damage. This is the main concern for the Nuclear Regulatory Commission (NRC), the group in the United States that licenses NPPs. This model will calculate a total CDF of any of these pathways occurring which will be compared to the baseline CDF in a generic NPP PRA for licensing support.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Southwest Wind Power R&D Test Site Development at the National Wind Technology Center (CRADA CRD-12-00472 Final Report)

Southwest Windpower, Inc. (SWWP) has been designing and distributing small wind turbines for more than 22 years and is the recognized global leader in the design, manufacturing and distribution of small wind systems (400-3000 watts). The company has been a pioneer in the development of wind technology and has built and shipped more than 170,000 wind turbines to over 120 countries worldwide. Headquartered in Flagstaff AZ, SWWP has sales representatives in over 88 countries. Applications for SWWP systems include residential homes, commercial properties, micro grids, remote cabins, telecom transmitters, offshore platforms, water pumping and sailboats. In addition, U.S. Department of Defense uses SWWP’s products in Forward Operating Bases (FOB’s), USGS uses them for remote monitoring of glacier movements and the CIA uses them to provide power seismic monitoring. Today, SWWP plans development of new technologies to address distributed energy market needs and become even more aggressive in international markets. This strategy includes extensive Research, Development, Demonstration & Deployment (RDD&D) activities to improve existing production line into more simple, reliable, and cost-effective wind turbine systems. Important part of such activities is the field testing of the new systems, which should provide: (i) validation of the reliable operation of hardware and software; (ii) validation of numerical models of the system and its components; (iii) field comparison of various control and optimization strategies; (iv) customized reliability testing; (v) customized monitoring and analysis testing; and (vi) IEC certification testing (vii) filed demonstration of system performance and reliability. Such field testing facility should encompass multiple towers and appropriate data acquisition systems. SWWP is exploring to move part of the engineering department to Colorado, and execute its RDD&D strategies in this new location. Partnership with NREL will provide great insights into SWWP’s RDD&D processes and more efficient commercialization by utilizing NWTC as the field testing site, and working close with NREL personnel. NWTC is ideally suited to strain the design. NREL is very experienced with customized and IEC testing. During this project, Southwest Windpower aims to improve the value proposition of distributed renewable energy, and make it a competitive choice in the energy markets. As of today, more then 170,000 small wind turbines, manufactured in the U.S., are installed in more then 180 countries. With the improved value proposition, Southwest Windpower wants to create and address new market needs, substantially increase its sales domestically and internationally, which should have positive impact on the creation of American jobs, competitiveness of U.S. economy, export or U.S. products, and the use of renewable energy.

17 WIND ENERGY↗
DOE OSTI2020

Operationalizing Synchrophasors for Enhanced Grid Reliability and Asset Utilization

The report discusses the development of production-grade synchrophasor software applications. The objective is to improve system reliability and asset utilization for offline as well as real-time considerations, as per the Department of Energy (DOE) guidelines specified by Funding Opportunity Announcement (FOA) DE-FOA-0001492. On the one hand, we have developed grid management applications on how to transform synchrophasor-based monitoring into operator guidance, and commercial grade tools addressing industry needs such as NERC Reliability Standards (MOD 26, MOD 27 and MOD 33). On the other hand, with the wide industrial adoption in mind, the developed applications have been fully discussed with utility partners and installed in the utility partners site including 6 field tests. The Model Validation and Calibration software module has been integrated into GE’s PhasorAnalyticsTM. The first commercial contract has been signed even before the close date of this project. The Angle-based Grid Management (AGM), Fast Voltage Security Assessment (FastVSA), Enhanced Islanding Monitoring(EIM) and Enhanced Disturbance Management (EDM) have been integrated into GE’s Grid Stability Assessment line of applications in e-terra Suite of EMS product.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

LLNL Response to the DOE ASCR RFI, "Stewardship of Software for Scientific and High-Performance Computing"

For decades, Lawrence Livermore National Laboratory (LLNL) has been engaged in significant research, development, and support for software to enable scientific computing and, particularly, the use of high performance computing (HPC) in the NNSA mission space. In particular, the move in the mid-1990’s to simulation as a leading component of stockpile stewardship through the ASCI and the successor ASC programs, as well as the need for reliable data acquisition and control software for the National Ignition Facility, have been important drivers in building expertise in production-quality software development at LLNL. LLNL has also been a leader in the DOE SciDAC FASTMath Institute and the DOE Exascale Computing Project (ECP), both of which have striven to make scientific computing software – in particular, the enabling technologies underpinning simulation capabilities – more widely adopted and sustainable. As such, we believe that our experience can inform the broader goal of software stewardship for scientific and high-performance computing. LLNL strongly supports the formation of a new DOE ASCR program element in software stewardship and sustainment. Historically, DOE ASCR has funded applied mathematics and computer science research that has led to the development of important new capabilities and algorithms that are expressed as artifacts in research software. Such frameworks, libraries, and tools have seldom been directly funded to address the important issues of code maintenance, documentation, robustness, and community building. Software engineering and support have typically been done on the side in support of the ASCR-driven research products. DOE funding priorities have been slow to recognize that good software engineering, the kind that ensures research investments have more adoption and longevity, requires significant resources. Based upon our experiences, we have prepared this response to highlight the concerns and issues we believe to be important as DOE ASCR considers its role in scientific software stewardship. We believe that role is important and will require a significant investment of new funding to legitimately support the technologies past and future DOE ASCR investments have and will produce to facilitate their uptake and adoption in the broader scientific computing community. Following a summary of our involvement in scientific software development, the remainder our response is organized around the nine topics specifically identified in the RFI.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Efficacy of Automated Supplying Artery Tracking Software Using Multidetector-Row Computed Tomography Images for Emergent Transcatheter Arterial Embolization

PurposeTo assess the reliability of a prototype automated supplying artery tracking software (ASATS) using multidetector-row CT (MDCT) images in emergent TAE.Materials and MethodsConsecutive 53 patients underwent 57 sessions of emergent TAE during 7 months. Twenty-one cases were excluded due to a lack of CT data (n = 12) or negative angiographic findings (n = 9). Remaining 34 sessions of TAE and MDCT images in 32 patients (mean age 62.9 years; age range 37–92 years) were enrolled. ASATS was retrospectively conducted for the identification of supplying arteries which were confirmed with angiography (automated method). Manual modification was added as needed (semi-automated method). Two observers independently reviewed the MDCT images to detect supplying arteries (manual method). Detectability of supplying artery and time to analysis were compared among the automated, semi-automated, and manual methods by both observers.ResultsA total of 64 bleeding sites were demonstrated on angiography. The detectability was 28 (43.8%) for automated method, 53 (82.8%) for semi-automated method, 55 (85.9%) for observer 1, and 58 (90.6%) for observer 2. Detectability of semi-automated method was significantly better than of automated method (P = 0.000) and comparable with manual method by both observers (P = 0.193 and 0.081). Average time to analysis was 185.4 s for automated method, 297.2 s for semi-automated method, 186.2 s for observer 1, and 243.7 s for observer 2.ConclusionASATS has a sufficient ability to identify supplying arteries of bleeding by adding manual modification as needed and can be used for emergent TAE. Level of Evidence: Level 4, Case Control Study.

62 RADIOLOGY AND NUCLEAR MEDICINE↗