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At least 109 records · Page 6

Development of the IES Plug-and-Play Framework

This report discusses the status of the flexible plug-and-play framework development currently ongoing that aims to integrate Modelica/Dymola with the Risk Analysis and Virtual ENvironment (RAVEN) software in terms of both Functional Mock-Up Interface (FMI)/Functional Mock-Up Unit (FMU) construction and repository structures that aim to ease the sharing and simulation of complex dynamic models. This report aims to provide an overview of all the performed activities resolving around the deployment of methods, software infrastructures, guidelines and workflow for the construction and usage of models, encapsulated using the FMI/FMU protocols and standards. In particular, the report is organized in three main macro-subjects, which are connected to each other: - FMI/FMU adaptors for modelica models - HYBRID repository new structure and open-source deployment - RAVEN FMI/FMU exporting capabilities and Artificial Intelligence (AI)-based analysis acceleration. The first part of the report discusses the FMI/FMU adaptors that have been created within the HYBRID repository to allow users to quickly export models, such as FMUs. Several examples are shown that highlight the step-by-step process of converting an existing Modelica model into an FMU for use within the Dymola platform. Simulation results demonstrate that, while minor differences may occur, the overall control, trends, and solution integrity are maintained between standard Modelica simulation and FMU simulation results. However, it is worth noting that, for small systems, the FMU results have a slower simulation time than the Modelica only simulation. Using this process, a company can provide models that contain proprietary information to entities without disclosing any of the information about the model that could be considered business sensitive. Such an ability would allow institutions to bypass the necessity of “whitewashing” data. In the second part of the report, the new structure of the HYBRID repository is discussed with a major focus on the series of updates that has been completed. These updates include the addition of Modelica system-level regression tests and software quality assurance documentation that ensure that modifications to the Modelica models do not alter system-level model results. The third and final part of the report aims to report the work that has been performed for the deployment of methods and workflows for the construction of RAVEN AI-based models compliant with the FMI/FMU standard. Such development represents the key for the deployment of the concept of “Flexible ecosystem” since it allows for the replacement of high-fidelity modelica models (or any other FMI/FMU compliant model) with RAVEN generated AI surrogate models. Overall, extensive work has been completed on developing FMUs and FMIs from existing models, understanding the requirements and limitations of FMUs, and open-sourcing the HYBRID repository with an integrated regression system.

42 ENGINEERING↗

Development of the IES Plug-and-Play Framework

This report discusses the status of the flexible plug-and-play framework development currently ongoing that aims to integrate Modelica/Dymola with the Risk Analysis and Virtual ENvironment (RAVEN) software in terms of both Functional Mock-Up Interface (FMI)/Functional Mock-Up Unit (FMU) construction and repository structures that aim to ease the sharing and simulation of complex dynamic models. This report aims to provide an overview of all the performed activities resolving around the deployment of methods, software infrastructures, guidelines and workflow for the construction and usage of models, encapsulated using the FMI/FMU protocols and standards. In particular, the report is organized in three main macro-subjects, which are connected to each other: - FMI/FMU adaptors for modelica models - HYBRID repository new structure and open-source deployment - RAVEN FMI/FMU exporting capabilities and Artificial Intelligence (AI)-based analysis acceleration. The first part of the report discusses the FMI/FMU adaptors that have been created within the HYBRID repository to allow users to quickly export models, such as FMUs. Several examples are shown that highlight the step-by-step process of converting an existing Modelica model into an FMU for use within the Dymola platform. Simulation results demonstrate that, while minor differences may occur, the overall control, trends, and solution integrity are maintained between standard Modelica simulation and FMU simulation results. However, it is worth noting that, for small systems, the FMU results have a slower simulation time than the Modelica only simulation. Using this process, a company can provide models that contain proprietary information to entities without disclosing any of the information about the model that could be considered business sensitive. Such an ability would allow institutions to bypass the necessity of “whitewashing” data. In the second part of the report, the new structure of the HYBRID repository is discussed with a major focus on the series of updates that has been completed. These updates include the addition of Modelica system-level regression tests and software quality assurance documentation that ensure that modifications to the Modelica models do not alter system-level model results. The third and final part of the report aims to report the work that has been performed for the deployment of methods and workflows for the construction of RAVEN AI-based models compliant with the FMI/FMU standard. Such development represents the key for the deployment of the concept of “Flexible ecosystem” since it allows for the replacement of high-fidelity modelica models (or any other FMI/FMU compliant model) with RAVEN generated AI surrogate models. Overall, extensive work has been completed on developing FMUs and FMIs from existing models, understanding the requirements and limitations of FMUs, and open-sourcing the HYBRID repository with an integrated regression system.

14 SOLAR ENERGY↗

Characterization and identification of HPC applications at leadership computing facility

High Performance Computing (HPC) is an important method for scientific discovery via large-scale simulation, data analysis, or artificial intelligence. Leadership-class supercomputers are expensive, but essential to run large HPC applications. The Petascale era of supercomputers began in 2008, with the first machines achieving performance in excess of one petaflops, and with the advent of new supercomputers in 2021 (e.g., Aurora, Frontier), the Exascale era will soon begin. However, the high theoretical computing capability (i.e., peak FLOPS) of a machine is not the only meaningful target when designing a supercomputer, as the resources demand of applications varies. A deep understanding of the characterization of applications that run on a leadership supercomputer is one of the most important ways for planning its design, development and operation. In order to improve our understanding of HPC applications, user demands and resource usage characteristics, we perform correlative analysis of various logs for different subsystems of a leadership supercomputer. This analysis reveals surprising, sometimes counter-intuitive patterns, which, in some cases, conflicts with existing assumptions, and have important implications for future system designs as well as supercomputer operations. For example, our analysis shows that while the applications spend significant time on MPI, most applications spend very little time on file I/O. Combined analysis of hardware event logs and task failure logs show that the probability of a hardware FATAL event causing task failure is low. Combined analysis of control system logs and file I/O logs reveals that pure POSIX I/O is used more widely than higher level parallel I/O. Based on holistic insights of the application gained through combined and co-analysis of multiple logs from different perspectives and general intuition, we engineer features to "fingerprint" HPC applications. We use t-SNE (a machine learning technique for dimensionality reduction) to validate the explainability of our features and finally train machine learning models to identify HPC applications or group those with similar characteristic. To the best of our knowledge, this is the first work that combines logs on file I/O, computing, and inter-node communication for insightful analysis of HPC applications in production.

Liu, Zhengchun↗

Database tomography for commercial application

Database tomography is a method for extracting themes and their relationships from text. The algorithms, employed begin with word frequency and word proximity analysis and build upon these results. When the word 'database' is used, think of medical or police records, patents, journals, or papers, etc. (any text information that can be computer stored). Database tomography features a full text, user interactive technique enabling the user to identify areas of interest, establish relationships, and map trends for a deeper understanding of an area of interest. Database tomography concepts and applications have been reported in journals and presented at conferences. One important feature of the database tomography algorithm is that it can be used on a database of any size, and will facilitate the users ability to understand the volume of content therein. While employing the process to identify research opportunities it became obvious that this promising technology has potential applications for business, science, engineering, law, and academe. Examples include evaluating marketing trends, strategies, relationships and associations. Also, the database tomography process would be a powerful component in the area of competitive intelligence, national security intelligence and patent analysis. User interests and involvement cannot be overemphasized.

Kostoff, Ronald N.↗

Space Station Freedom ECLSS: A step toward autonomous regenerative life support systems

The Environmental Control and Life Support System (ECLSS) is a Freedom Station distributed system with inherent applicability to extensive automation primarily due to its comparatively long control system latencies. These allow longer contemplation times in which to form a more intelligent control strategy and to prevent and diagnose faults. The regenerative nature of the Space Station Freedom ECLSS will contribute closed loop complexities never before encountered in life support systems. A study to determine ECLSS automation approaches has been completed. The ECLSS baseline software and system processes could be augmented with more advanced fault management and regenerative control systems for a more autonomous evolutionary system, as well as serving as a firm foundation for future regenerative life support systems. Emerging advanced software technology and tools can be successfully applied to fault management, but a fully automated life support system will require research and development of regenerative control systems and models. The baseline Environmental Control and Life Support System utilizes ground tests in development of batch chemical and microbial control processes. Long duration regenerative life support systems will require more active chemical and microbial feedback control systems which, in turn, will require advancements in regenerative life support models and tools. These models can be verified using ground and on orbit life support test and operational data, and used in the engineering analysis of proposed intelligent instrumentation feedback and flexible process control technologies for future autonomous regenerative life support systems, including the evolutionary Space Station Freedom ECLSS.

Dewberry, Brandon S.↗

Earth Science Technology Office (ESTO) New Observing Strategies (NOS) and NOS-Testbed (NOS-T)

With the advancement of space hardware technologies such as smaller spacecraft, component and instrument miniaturization and high performance space processors, and with the advancement of software technologies in artificial intelligence, big data analysis and autonomous decision making, Earth Science is looking at novel ways to observe phenomena that previously could not have been studied or would have been too expensive to study with traditional missions. In particular, the New Observing Strategies (NOS) component of the NASA Earth Science Technology Office (ESTO) Advanced Information Systems Technology (AIST) Program aims at leveraging these novel technologies as well as low cost and easy access to space to acquire multi-temporal or simultaneous multi-angular, multi-locations, multi-resolution and multi-spectral observations that will provide better multi-source measurements and will build a more dynamic and comprehensive picture of Earth Science phenomena that need to be studied and analyzed. For applications such as water resources management, air quality monitoring, biodiversity studies or disaster management, NOS will integrate the use of small instruments, small spacecraft, constellations of spacecraft and networks of sensors to design new missions that will provide the necessary measurements to improve future forecast and science modeling systems.Measurement acquisition will therefore be approached as a system of systems rather than on a mission basis, and a system of this complexity should not be expected to work without full integration and experimental characterization. Although most of the individual technologies enabling to link and coordinate multi-source observations are more or less mature, a few technologies need to be developed and all of them need to be integrated and tested as a system. In order for this validation to occur, the AIST Program is developing the NOS Testbed that includes 3 main goals:1.Validate novel NOS technologies, independently and as a system2.Demonstrate novel distributed operations concepts3.Socialize new Distributed Spacecraft Mission (DSM) and SensorWeb (SW) technologies and concepts to the science community by significantly retiring the risk of integrating these new technologies.The NOS Testbed will consist of multiple sensing nodes, simulated or actual, representing space, air and/or ground measurements, that are interconnected by a communications fabric (infrastructure that permits nodes to transmit and receive data between one another and interact with each other). Each node will be supported by hardware capabilities required to perform nodes monitoring and command & control, as well as intelligent "onboard" computing. The nodes will work together in a collaborative manner to demonstrate optimal science capabilities. The testbed will enable to validate technologies such as inter-node communication models, techniques and protocols; inter-node coordination; real-time data fusion and understanding; planning; sensor re-targeting; etc. Additionally, the testbed will have the capability to interact with various mission design tools, OSSEs and one or several forecast models. More details about the NOS Testbed will be presented at the confererence.

Earth Science missions; Advanced information Syste↗

2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches

Two-dimensional (2D) materials have been a hot research topic in the last decade, due to novel fundamental physics in the reduced dimension and appealing applications. Systematic discovery of functional 2D materials has been the focus of many studies. Here, we present a large dataset of 2D materials, with more than 6,000 monolayer structures, obtained from both top-down and bottom-up discovery procedures. First, we screened all bulk materials in the database of Materials Project for layered structures by a topology-based algorithm and theoretically exfoliated them into monolayers. Then, we generated new 2D materials by chemical substitution of elements in known 2D materials by others from the same group in the periodic table. The structural, electronic and energetic properties of these 2D materials are consistently calculated, to provide a starting point for further material screening, data mining, data analysis and artificial intelligence applications. We present the details of computational methodology, data record and technical validation of our publicly available data (http://www.2dmatpedia.org/).

36 MATERIALS SCIENCE↗

WizEM

The software provides a flexible pipeline for artificial intelligence (AI) assisted analysis of data collected from an electron microscope. This tool distinctly provides near real-time image quantification results during data collection, incorporating feedback from a user to tune performance.

Akers, Sarah [Pacific Northwest National Laborator↗

Experimental Physical Sciences Vitae 2017

Frequently our most basic research experiments stimulate solutions for some of the most intractable national security problems, such as nuclear weapons stewardship, homeland security, intelligence and information analysis, and nuclear and alternative energy. This publication highlights our talented and creative staff who deliver solutions to these complex scientific and technological challenges by conducting cutting-edge multidisciplinary physical science research.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Integrated Research Infrastructure Architecture Blueprint Activity (Final Report 2023)

The complexity of scientific pursuits is increasing rapidly with aspects that require dynamic integration of experiment, observation, theory, modeling, simulation, visualization, machine learning (ML), artificial intelligence (AI), and analysis. Research projects across the Department of Energy (DOE) are increasingly data and compute intensive. Innovative research teams are accelerating the pace of discovery by using high-performance computational and data tools in their research workflows and leveraging multiple research infrastructures. Additionally, several recent high-level U.S. government reports underscore the necessity of a new advanced computing ecosystem for international competitiveness and national security. International competitors are moving forward with major research infrastructure integration efforts that seek to capture a competitive advantage in the global innovation race. Owing to its unparalleled constellation of world-class experimental and observational facilities and high-performance and extreme-scale computational, data, and networking infrastructure, DOE is positioned to be a global leader in this new era of integrated science. However, this new integration paradigm will demand continuing evolution to ensure the U.S. remains a global leader in research and innovation. The DOE Office of Science (SC) has seized on the strategic importance of integration and has adopted a vision for Integrated Research Infrastructure (IRI): To empower researchers to meld DOE’s world-class research tools, infrastructure, and user facilities seamlessly and securely in novel ways to radically accelerate discovery and innovation. To respond to the evolving computational requirements of research and the competitive international innovation landscape, experimental facilities could be connected with high performance computing resources for near real-time analysis, and resources should be provided for merging enormous and diverse data for AI/ML techniques and analysis.

97 MATHEMATICS AND COMPUTING↗

Glancing Angle Deposition in Gas Sensing: Bridging Morphological Innovations and Sensor Performances

Glancing Angle Deposition (GLAD) has emerged as a versatile and powerful nanofabrication technique for developing next-generation gas sensors by enabling precise control over nanostructure geometry, porosity, and material composition. Through dynamic substrate tilting and rotation, GLAD facilitates the fabrication of highly porous, anisotropic nanostructures, such as aligned, tilted, zigzag, helical, and multilayered nanorods, with tunable surface area and diffusion pathways optimized for gas detection. This review provides a comprehensive synthesis of recent advances in GLAD-based gas sensor design, focusing on how structural engineering and material integration converge to enhance sensor performance. Key materials strategies include the construction of heterojunctions and core–shell architectures, controlled doping, and nanoparticle decoration using noble metals or metal oxides to amplify charge transfer, catalytic activity, and redox responsiveness. GLAD-fabricated nanostructures have been effectively deployed across multiple gas sensing modalities, including resistive, capacitive, piezoelectric, and optical platforms, where their high aspect ratios, tailored porosity, and defect-rich surfaces facilitate enhanced gas adsorption kinetics and efficient signal transduction. These devices exhibit high sensitivity and selectivity toward a range of analytes, including NO2, CO, H2S, and volatile organic compounds (VOCs), with detection limits often reaching the parts-per-billion level. Emerging innovations, such as photo-assisted sensing and integration with artificial intelligence for data analysis and pattern recognition, further extend the capabilities of GLAD-based systems for multifunctional, real-time, and adaptive sensing. Finally, current challenges and future research directions are discussed, emphasizing the promise of GLAD as a scalable platform for next-generation gas sensing technologies.

Chemistry↗

PV inverter experimental data

The increase in power electronic based generation sources require accurate modeling of inverters. Accurate modeling requires experimental data over wider operation range. We used 20 kW off-the-shelf grid following PV inverter in the experiments. We used controllable AC supply and controllable DC supply to emulate AC and DC side characteristics. The experiments were performed at NREL's Energy Systems Integration Facility. Due to the limitations of the DC supply used, inverter is tested under 75%, 50%, 25% load conditions (This dataset does not contain 100% load condition). In the first dataset, for each operating condition, controllable AC source voltage is varied from 0.88 to 1.09 per unit (p.u) with a step value of 0.025 p.u while keeping the frequency at 60 Hz. In the second dataset, under similar load conditions (75%, 50%, 25% ), the frequency of the controllable AC source voltage was varied from 59.4 Hz to 60.45 Hz with a step value of 0.2 Hz. Voltage and frequency range is chosen based on inverter protection. Voltages and currents on DC and AC side are included in the dataset.

24 POWER TRANSMISSION AND DISTRIBUTION↗

PV Inverter Experimental Dataset Version 2 with 100 Percent Power

The increase in power electronic based generation sources require accurate modeling of inverters. Accurate modeling requires experimental data over wider operation range. We used 20 kW off-the-shelf grid following PV inverter in the experiments. We used controllable AC supply and controllable DC supply to emulate AC and DC side characteristics. The experiments were performed at NREL's Energy Systems Integration Facility. The PV inverter is tested under 100%, 75%, 50%, 25% load conditions. In the first dataset, for each operating condition, controllable AC source voltage is varied from 0.88 to 1.09 per unit (p.u) with a step value of 0.025 p.u while keeping the frequency at 60 Hz. In the second dataset, under similar load conditions (100%, 75%, 50%, 25% ), the frequency of the controllable AC source voltage was varied from 59.4 Hz to 60.45 Hz with a step value of 0.2 Hz. Voltage and frequency range is chosen based on inverter protection. Voltages and currents on DC and AC side are included in the dataset.

14 SOLAR ENERGY↗

Remote Sensing Information Sciences Research Group, year four

The needs of the remote sensing research and application community which will be served by the Earth Observing System (EOS) and space station, including associated polar and co-orbiting platforms are examined. Research conducted was used to extend and expand existing remote sensing research activities in the areas of georeferenced information systems, machine assisted information extraction from image data, artificial intelligence, and vegetation analysis and modeling. Projects are discussed in detail.

Estes, John E.↗

Two implementations of the Expert System for the Flight Analysis System (ESFAS) project

A comparison is made between the two most sophisticated expert system building tools, the Automated Reasoning Tool (ART) and the Knowledge Engineering Environment (KEE). The same problem domain (ESFAS) was used in making the comparison. The Expert System for the Flight Analysis System (ESFAS) acts as an intelligent front end for the Flight Analysis System (FAS). FAS is a complex configuration controlled set of interrelated processors (FORTRAN routines) which will be used by the Mission Planning and Analysis Div. (MPAD) to design and analyze Shuttle and potential Space Station missions. Implementations of ESFAS are described. The two versions represent very different programming paradigms; ART uses rules and KEE uses objects. Due to each of the tools philosophical differences, KEE is implemented using a depth first traversal algorithm, whereas ART uses a user directed traversal method. Either tool could be used to solve this particular problem.

Wang, Lui↗