Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Software Requirements”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 505 records · Page 28

A time-domain electromechanical co-simulation framework for power system transient analysis with retainment of user defined models

This paper proposes a time-domain electromechanical co-simulation framework to accomplish concurrent running of multiple simulators in order to preserve user-defined models and allow maximum simulation accuracy for power system transient analysis. Here, a middleware interface is developed to manage the interaction and synchronization of the multiple simulators via boundary model. Consequently, it eliminates the requirement of model conversion of each subsystem and thus ensure the user-defined models in each specific software are retained for entire system situational awareness. Preliminary testing results on 140-bus Northeastern Power Coordinating Council (NPCC) model validate the effectiveness and accuracy of the proposed framework for PSS/E and PSLF co-simulation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Computational identification of HCV neutralizing antibodies with a common HCDR3 disulfide bond motif in the antibody repertoires of infected individuals

Despite recent success in hepatitis C virus (HCV) treatment using antivirals, an HCV vaccine is still needed to prevent reinfections in treated patients, to avert the emergence of drug-resistant strains, and to provide protection for people with no access to the antiviral therapeutics. The early production of broadly neutralizing antibodies (bNAbs) associates with HCV clearance. Several potent bNAbs bind a conserved HCV glycoprotein E2 epitope using an unusual heavy chain complementarity determining region 3 (HCDR3) containing an intra-loop disulfide bond. Isolation of additional structurally-homologous bNAbs would facilitate the recognition of key determinants of such bNAbs and guide rational vaccine design. Here we report the identification of new antibodies containing an HCDR3 disulfide bond motif using computational screening with the Rosetta software. Using the newly-discovered and already-known members of this antibody family, we review the required HCDR3 amino acid composition and propose determinants for the bent versus straight HCDR3 loop conformation observed in these antibodies.

59 BASIC BIOLOGICAL SCIENCES↗

Multithreading ATLAS offline software: A retrospective

For Run 3, ATLAS redesigned its offline software, Athena, so that the main workflows run completely multithreaded. The resulting substantial reduction in the overall memory requirements allows for better use of machines with many cores. This note will discuss the performance achieved by the multithreaded reconstruction, the process of migrating the large ATLAS code base, and tools and techniques that were useful in debugging threading-related problems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Accelerating science: The usage of commercial clouds in ATLAS Distributed Computing

The ATLAS experiment at CERN is one of the largest scientific machines built to date and will have ever growing computing needs as the Large Hadron Collider collects an increasingly larger volume of data over the next 20 years. ATLAS is conducting R&D projects on Amazon Web Services and Google Cloud as complementary resources for distributed computing, focusing on some of the key features of commercial clouds: lightweight operation, elasticity and availability of multiple chip architectures. The proof of concept phases have concluded with the cloud-native, vendoragnostic integration with the experiment’s data and workload management frameworks. Google Cloud has been used to evaluate elastic batch computing, ramping up ephemeral clusters of up to O(100k) cores to process tasks requiring quick turnaround. Amazon Web Services has been exploited for the successful physics validation of the Athena simulation software on ARM processors. We have also set up an interactive facility for physics analysis allowing endusers to spin up private, on-demand clusters for parallel computing with up to 4 000 cores, or run GPU enabled notebooks and jobs for machine learning applications. The success of the proof of concept phases has led to the extension of the Google Cloud project, where ATLAS will study the total cost of ownership of a production cloud site during 15 months with 10k cores on average, fully integrated with distributed grid computing resources and continue the R&D projects.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Smart Planning for Radioactive Source Transport Advanced Tools for Increased Safety and Efficiency

End-of-life (EOL) management of high-activity radioactive sources is made uniquely challenging by the inherent risks associated with storage and transportation of these sources, the complex logistics involved, and the strict requirements for regulatory compliance. Traditional methods lack comprehensive tools for accurate site assessments and precision planning for the transportation of radioactive sources. They also frequently fail to provide the adaptability required to consider diverse operational environments, resulting in inefficiencies and potential safety concerns. This paper introduces a novel software solution developed to address these issues by integrating advanced technologies such as light detection and ranging (LiDAR)-based 3D environment modeling, smart dynamic route planning, and customizable measurement functionalities. This software enables detailed terrain visualizations, facilitating thorough environmental assessments and enabling users to virtually navigate, analyze, and plan site-specific operations. Among the key features are a user-centric interface for virtual navigation, precise site measurement tools for site evaluations, interactive visualizations that highlight potential operational hazards, dynamic route planning capabilities, and real-time collision detection to promote safe workflows. By demonstrating the effectiveness of this tool through real-world application, the present work underscores the tool’s potential to revolutionize radioactive source EOL management by improving operational efficiencies, minimizing risk, and advancing the state of practice to achieve suitable and secure radioactive material handling.

99 - GENERAL AND MISCELLANEOUS↗

General approaches for shear-correcting coordinate transformations in Bragg coherent diffraction imaging. Part I

This two-part article series provides a generalized description of the scattering geometry of Bragg coherent diffraction imaging (BCDI) experiments, the shear distortion effects inherent in the 3D image obtained from presently used methods and strategies to mitigate this distortion. Part I starts from fundamental considerations to present the general real-space coordinate transformation required to correct this shear, in a compact operator formulation that easily lends itself to implementation with available software packages. Such a transformation, applied as a final post-processing step following phase retrieval, is crucial for arriving at an undistorted, correctly oriented and physically meaningful image of the 3D crystalline scatterer. As the relevance of BCDI grows in the field of materials characterization, the available sparse literature that addresses the geometric theory of BCDI and the subsequent analysis methods are generalized here. This geometrical aspect, specific to coherent Bragg diffraction and absent in 2D transmission CDI experiments, gains particular importance when it comes to spatially resolved characterization of 3D crystalline materials in a reliable nondestructive manner. This series of articles describes this theory, from the diffraction in Bragg geometry to the corrections needed to obtain a properly rendered digital image of the 3D scatterer. Part I of this series provides the experimental BCDI community with the general form of the 3D real-space distortions in the phase-retrieved object, along with the necessary post-retrieval correction method. Part II builds upon the geometric theory developed in Part I with the formalism to correct the shear distortions directly on an orthogonal grid within the phase-retrieval algorithm itself, allowing more physically realistic constraints to be applied. Taken together, Parts I and II provide the X-ray science community with a set of generalized BCDI shear-correction techniques crucial to the final rendering of a 3D crystalline scatterer and for the development of new BCDI methods and experiments.

36 MATERIALS SCIENCE↗

Coherent diffraction imaging in the undergraduate laboratory

We present an undergraduate optics instructional laboratory designed to teach skills relevant to a broad range of modern scientific and technical careers. In this laboratory project, students image a custom aperture using coherent diffraction imaging, while learning principles and skills related to digital image processing and computational imaging, including multidimensional Fourier analysis, iterative phase retrieval, noise reduction, finite dynamic range, and sampling considerations. After briefly reviewing these imaging principles, we describe the required experimental materials and setup for this project. Our experimental apparatus is both inexpensive and portable, and a software application we developed for interactive data analysis is freely available.

Porter, J. Nicholas↗

LA17-V-InverseRadTransportProblem-PD2Kb. Final Project Report

In the inverse radiation transport problem, a radiation signal emanating from an unknown object is used to reconstruct geometric and material parameters of the object , e.g., the mass of special nuclear material (SNM), the isotopic composition of the SNM (e.g., the enrichment of 235U), the thickness of shielding, etc. The inverse radiation transport problem is one of the most fundamental and important in the emergency response mission, and has been addressed in previous NA-22 and NA-42/84 investments by using derivative-free optimization methods. Our project was aimed at (i) consolidating previous work by applying polynomial chaos expansion (PCE) for reducing significantly the number of forward model simulations required by derivative-free optimization methods; (ii) developing a general-purpose framework and stand-alone software for solving the inverse radiation transport problem by applying a new “predictive modeling” methodology (predictive modeling of coupled multi-physics systems, PM_CMPS) which enables the fusing of experimental and computational information; and (iii) developing several benchmarks (for unscattered gamma rays) for demonstrating the quantification of non-Gaussian features (e.g., skewness and kurtosis, which characterize asymmetries and long tails) of response distributions by deterministically and efficiently propagating parameter uncertainties (covariances and higher-order moments, where available) using high-order sensitivities computed by the recently developed comprehensive adjoint sensitivity analysis methodology (C-ASAM). With regard to (i), application of PCE, the most significant accomplishment of this project was an implementation of PCE into INVERSE that significantly reduced computation time for the DiffeRential Evolution Adaptive Metropolis (DREAM) and Differential Evolution (DE) methods. For inverse transport problems with measurements of neutron leakage, neutron multiplication, and neutron-induced gamma-rays, the solution times for the DREAM and DE methods were reduced by factors of 30-300, reducing run times from hours to minutes while maintaining the same accuracy as the standard (non-PCE) DREAM and DE. Speedups were further improved by exploring sparse grid quadrature sets using the Toolkit for Adaptive Stochastic Modeling and Non-Intrusive ApproximatioN (Tasmanian) toolset. An initial exploration of sparse grids indicated that further speedups factors of 5-10 are obtainable. The implementation of PCE in INVERSE is not in a form that users can easily access. With regard to (ii), solving the inverse problem using a predictive modeling paradigm, the most significant accomplishment of this project were the derivation and implementation of adjoint-based second derivatives in neutron and photon transport theory. There are two codes that compute these derivatives. SENSPG computes them for uncollided gamma rays and SENSMG computes them for neutron leakage. SENSMG is open-source code available on github. Other significant accomplishments included a stand-alone code, MULTI-PRED, that implements the predictive modeling paradigm, along with a detailed manual. The code was implemented in the existing INVERSE code for inverse problems, but a head-to-head comparison of inverse methods was not achieved. We also derived and implemented the capability to compute sensitivities for multiplicity measurements into the SENSMG code, and this capability was used in a data assimilation application, but it was not used for solving inverse problems. With regard to (iii), developing benchmarks to demonstrate the importance of high-order sensitivity and uncertainty analysis, the most significant accomplishment of this project were two test problems that showed how important second-order sensitivities are.

07 ISOTOPE AND RADIATION SOURCES↗

Deployable Wind-Hybrid Power Systems for Defense and Disaster Response Applications

This report presents an analysis of the performance of deployable energy systems comprised of wind energy systems integrated with diesel generators, photovoltaic systems, and battery storage to meet the load requirements of a representative U.S. Army forward operating base. The analysis is conducted using HOMER, a microgrid analysis software that can search through a wide range of parameters to design and optimize microgrid power systems. The search parameters include the system architecture, the wind and solar resources, and the availability of diesel fuel. The results of the analysis measure the relative performance of the different systems and environments in terms of the overall transportation cost to deploy the system and the ability to provide resilience in terms of meeting mission critical loads.

02 PETROLEUM↗

The Science of Scientific Software Development and Use

Increasingly powerful and affordable computing has revolutionized scientific and scholarly discovery across a broad range of fields. Computing relies on software, which has been rapidly growing in scope, diversity, and complexity. At the same time, the methods, processes, and tools used to produce and utilize this essential software are often ad hoc, and the study and improvement of them is often done without the benefit of direct funding or prioritization. Consequently, concerns are growing about the productivity of the developers and users of scientific software, its sustainability, and the trustworthiness of the results that it produces. The US Department of Energy Office of Science (DOE-SC) is at the forefront of modern software-enabled scientific discovery across numerous areas of computational, experimental, and observational science, including major investments in national user facilities that support these activities. In December 2021, the DOE-SC Office of Advanced Scientific Computing Research (ASCR) convened a workshop on basic research needs for the Science of Scientific Software Development and Use (SSSDU). Through keynote presentations, lightning talks, and breakout groups, participants discussed the current practice of software development, maintenance, evolution, and use, and considered how the scientific method could be used to examine these practices and develop more evidence-based approaches to enhance the impact of software and computing on all areas of science. Workshop participants identified three priority research directions (PRDs) and three important crosscutting themes that center on the following overarching insight: software has become an essential part of modern science that impacts new discovery, policy, and technological development. To have full confidence in science delivered via software, we must improve the processes and tools that help us create and use it, and this enhancement requires a deep understanding of the diverse array of teams and individuals doing the work. The full workshop report will be available at https://doi.org/10.2172/1846009.

97 MATHEMATICS AND COMPUTING↗

A Scalable Quantum Cryptography Network for Protected Automation Communication (Final Report)

This is the final report for a CEDS-funded project aimed at developing a new quantum technology for securing utility communication networks used to control and monitor electrical grid equipment. Securing these control networks represents a unique challenge as the performance of the security solution has a direct impact on the stability and reliability of the electrical grid. Traditional, software-based solutions - developed for information networks - are not suitable for utility control networks because they introduce latency, require burdensome maintenance and upgrades, are often incompatible with legacy equipment, and introduce operational complexity that reduces grid reliability. Consequently, many U.S. utilities do not use existing solutions and, instead, protect their critical control networks through the careful isolation and obscuration of their networked equipment. With more utilities embracing grid automation, the attack surface that utilities must defend from hackers has grown to an unmanageable size. To address this situation, Qubitekk and its partners proposed and developed a hardware-based solution that can secure critical control networks without negatively impacting grid performance. This new solution is based on quantum key distribution (QKD) techniques that guarantee secure key generation and distribution across a utility control network. Through deployment and field testing of a prototype QKD system, we have shown that this solution delivers long-term network security, is technically feasible to implement and maintain on a utility’s distribution substation network and does not negatively impact grid operations. In addition, the project has identified and solved key challenges associated with generating, transmitting, and measuring coherent photonic quantum states on a real-world fiber optic network. These additional findings are playing a critical role in advancing quantum networks for quantum computing applications. An overview of the QKD prototype development effort, field testing activities and results, and additional findings relevant to emerging quantum networks are presented in this report.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Functional Reference Architecture and Assessment Thereof for the National Ignition Facility Industrial Controls Systems

The Industrial Control System (ICS) at the National Ignition Facility (NIF) has an effective, well-established architecture based off a conventional cyclical software paradigm focused on maintainability and the identification of issues. This architecture exhibits scalability in ensuring expansions of the system conform to the existing architecture, modularity enough to allow relatively easy integrations of such expansions and works as a successful tool to introduce control system engineers new to the NIF ICS to the structure of the system at each layer. This architecture, like most software architectures, is object-oriented, lending itself to ease of understanding by control systems engineers and software engineers familiar with an object-oriented perspective. There are occasions, however, where engineers of other disciplines require insight into the functionality and structure of the ICS for the purposes of understanding fundamentally how their own system is or will be governed by the ICS, without the need for the details of operation of the ICS or the object-oriented view. For this reason, a functional architecture of the ICS could be a potent tool for communicating this insight. Even more powerful, a generalization of this proposed functional ICS architecture in the form of a National Ignition Facility and Photon Science (NIF & PS) Industrial Controls Reference Architecture could communicate this insight not just to systems governed by the ICS in the NIF proper, but across entirety of the NIF & PS Principal Associate Directorate (PAD), anywhere an instance of the ICS architecture is present, such as the approximately 40 “small labs” distributed across the directorate. Such a tool will provide an alternative means of understanding the implementation of these control systems, conducive to a larger variety of engineering and scientific disciplines.

42 ENGINEERING↗

Reassessment of PHDS Fulcrum40h High Purity Germanium (HPGe) Detector System Performance

This report presents a comprehensive evaluation of the updated PHDS Fulcrum40h High Purity Germanium (HPGe) detector system, benchmarking its performance, usability, and software capabilities against the current National Nuclear Security Administration (NNSA) Nuclear Emergency Support Team (NEST) HPGe Detector System Requirements Document. Systematic measurements were conducted using a single Fulcrum40h detector to assess key parameters including gamma efficiency and resolution, neutron detection efficiency, gamma pulse-pileup response, and gamma-to-neutron crosstalk. The Fulcrum40h system, acquired in August 2022, has undergone recent updates by PHDS to address deficiencies identified following the initial NEST requirements release. The results provide critical insights into the detector’s operational capabilities and compliance with NNSA NEST standards.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Search for Joint Multimessenger Signals from Potential Galactic Cosmic-Ray Accelerators with HAWC and IceCube

The origin of high-energy galactic cosmic rays is yet to be understood, but some galactic cosmic-ray accelerators can accelerate cosmic rays up to PeV energies. The high-energy cosmic rays are expected to interact with the surrounding material or radiation, resulting in the production of gamma-rays and neutrinos. To optimize for the detection of such associated production of gamma-rays and neutrinos for a given source morphology and spectrum, a multimessenger analysis that combines gamma-rays and neutrinos is required. In this study, we use the Multi-Mission Maximum Likelihood framework with IceCube Maximum Likelihood Analysis software and HAWC Accelerated Likelihood to search for a correlation between 22 known gamma-ray sources from the third HAWC gamma-ray catalog and 14 yr of IceCube track-like data. No significant neutrino emission from the direction of the HAWC sources was found. We report the best-fit gamma-ray model and 90% CL neutrino flux limit from the 22 sources. From the neutrino flux limit, we conclude that, for five of the sources, the gamma-ray emission observed by HAWC cannot be produced purely from hadronic interactions. We report the limit for the fraction of gamma-rays produced by hadronic interactions for these five sources.

79 ASTRONOMY AND ASTROPHYSICS↗

Methodology to assess “no-touch” building audit software using simulated utility data

Building audits are conducted in many commercial buildings to identify opportunities to reduce energy costs and improve building operation. Because audits require significant effort by building engineers, they are usually only affordable for larger commercial buildings. “No-touch” building audit tools have thus been developed to identify potential savings based on a simplified analysis of building energy consumption patterns via high-level energy data such as monthly utility bills. This paper presents a comprehensive and standardized methodology to evaluate the accuracy of no-touch audit tools in detecting and diagnosing building energy problems and quantifying potential energy savings. The test suite is based on output data from a well-characterized set of building energy models, and the methodology is illustrated by applying it to a representative no-touch building audit tool. Results show that the tool estimates building energy end uses with reasonable accuracy but is less accurate in identifying probably causes of high energy.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Bragg Spot Finder (BSF): a new machine-learning-aided approach to deal with spot finding for rapidly filtering diffraction pattern images

Macromolecular crystallography contributes significantly to understanding diseases and, more importantly, how to treat them by providing atomic resolution 3D structures of proteins. This is achieved by collecting X-ray diffraction images of protein crystals from important biological pathways. Spotfinders are used to detect the presence of crystals with usable data, and the spots from such crystals are the primary data used to solve the relevant structures. Having fast and accurate spot finding is essential, but recent advances in synchrotron beamlines used to generate X-ray diffraction images have brought us to the limits of what the best existing spotfinders can do. This bottleneck must be removed so spotfinder software can keep pace with the X-ray beamline hardware improvements and be able to see the weak or diffuse spots required to solve the most challenging problems encountered when working with diffraction images. In this paper, we first present Bragg Spot Detection (BSD), a large benchmark Bragg spot image dataset that contains 304 images with more than 66 000 spots. We then discuss the open source extensible U-Net-based spotfinder Bragg Spot Finder (BSF), with image pre-processing, a U-Net segmentation backbone, and post-processing that includes artifact removal and watershed segmentation. Finally, we perform experiments on the BSD benchmark and obtain results that are (in terms of accuracy) comparable to or better than those obtained with two popular spotfinder software packages ( Dozor and DIALS ), demonstrating that this is an appropriate framework to support future extensions and improvements.

36 MATERIALS SCIENCE↗

Considerations regarding the Use of Computer Vision Machine Learning in Safety-Related or Risk-Significant Applications in Nuclear Power Plants

With the advancements made to date in the field of artificial intelligence (AI), significant potential exists to utilize AI capabilities for nuclear power plant (NPP) applications. AI can replicate human decision making and it is usually faster and more accurate than humans. For implementations that impact critical NPP applications (e.g., safety-related or non-safety systems that potentially affect overall plant risk), a deeper safety analysis of the AI methods is necessary. AI applied to NPP operations could resemble the use of digital I&C (DI&C) because such applications involve digital computer hardware and custom-designed software that input plant data, execute complex software algorithms, and output the results to a system or licensed human operator to potentially provoke an action. For AI methods to be compliant with current safety requirements for DI&C, AI compatibility must be evaluated, and AI-related gaps may exist that prevent the prompt deployment of AI in NPPs. This effort aims to evaluate how example AI technologies align with the DI&C safety framework, and discusses how they could be analyzed, modeled, tested, and validated in a manner similar to typical DI&C technologies. Because AI is a broad field that encompasses areas such as machine learning (ML), natural language processing, and computer vision, this research focused on a subset of methods categorized as the computer vision ML (CVML) methods. This report explores two CVML use cases, gauge reading and fire watch, considered relevant to the DI&C standards, as they could play a safety-critical role. For the gauge reading use case, a CVML-enabled technology that can read gauges at oblique angles is utilized. For the fire watch use case, a CVML-enabled technology is utilized that migrates fire watch from a manual (human) approach to automated fire detection. These use cases are mainly intended to give context to the CVML system discussion. This effort assumes the worst-case scenario, with the CVML system being used to replace a safety-related or risk-significant system, thus requiring evaluation. Evaluating CVML against most of the relevant safety requirements for DI&C yielded several CVML-specific considerations due to the uniqueness of its characteristics in comparison with typical DI&C systems. For example, CVML models often employ commonly used (open-source) datasets, and it is not always possible to determine the level of overlap among open-source datasets. Therefore, the independence of the developed CVML models when demonstrating diversity is questionable, therefore creating vulnerability to common cause failure (CCF). The design verification process is also impacted since the data overlap could result in overestimation of the software validation and verification (V&V) performance results. Section 2 of this report evaluates a list of the identified CVML-specific characteristics and discusses the resulting considerations and potential solutions in the context of each referenced requirement. A summation is provided in Section 3. This report is not to be used as a guideline. It was developed to identify and consider issues in the implementation of ML technologies used to augment activities that may have a bearing on plant operation. The report draws parallels to the use of DI&C technologies, for which many standards are available to guide their use in nuclear plant operation. It considers the technologies and some of the potential implications of their use in safety-related applications but is not intended to address regulatory or licensing related issues.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

CMaize: Simplifying inter-package modularity from the build up

There is a growing desire for inter-package modularity within the chemistry software community to reuse encapsulated code units across a variety of software packages. Most comprehensive efforts at achieving inter-package modularity will quickly run afoul of a very practical problem, being able to cohesively build the modules. Writing and maintaining build systems has long been an issue for many scientific software packages that rely on compiled languages such as C/C++. The push for inter-package modularity compounds this issue by additionally requiring binary artifacts from disparate developers to interoperate at a binary level. Thankfully, the de facto build tool for C/C++, CMake, is more than capable of supporting the myriad of edge cases that complicate writing robust build systems. Unfortunately, writing and maintaining a robust CMake build system can be a laborious endeavor because CMake provides few abstractions to aid the developer. Further, the need to significantly simplify the process of writing robust CMake-based build systems, especially in inter-package builds, motivated us to write CMaize. In addition to describing the architecture and design of CMaize, the article also demonstrates how CMaize is used in production-level software.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗