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At least 73 records · Page 4

Monitoring by Use of Clusters of Sensor-Data Vectors

The inductive monitoring system (IMS) is a system of computer hardware and software for automated monitoring of the performance, operational condition, physical integrity, and other aspects of the health of a complex engineering system (e.g., an industrial process line or a spacecraft). The input to the IMS consists of streams of digitized readings from sensors in the monitored system. The IMS determines the type and amount of any deviation of the monitored system from a nominal or normal ( healthy ) condition on the basis of a comparison between (1) vectors constructed from the incoming sensor data and (2) corresponding vectors in a database of nominal or normal behavior. The term inductive reflects the use of a process reminiscent of traditional mathematical induction to learn about normal operation and build the nominal-condition database. The IMS offers two major advantages over prior computational monitoring systems: The computational burden of the IMS is significantly smaller, and there is no need for abnormal-condition sensor data for training the IMS to recognize abnormal conditions. The figure schematically depicts the relationships among the computational processes effected by the IMS. Training sensor data are gathered during normal operation of the monitored system, detailed computational simulation of operation of the monitored system, or both. The training data are formed into vectors that are used to generate the database. The vectors in the database are clustered into regions that represent normal or nominal operation. Once the database has been generated, the IMS compares the vectors of incoming sensor data with vectors representative of the clusters. The monitored system is deemed to be operating normally or abnormally, depending on whether the vector of incoming sensor data is or is not, respectively, sufficiently close to one of the clusters. For this purpose, a distance between two vectors is calculated by a suitable metric (e.g., Euclidean distance) and "sufficiently close" signifies lying at a distance less than a specified threshold value. It must be emphasized that although the IMS is intended to detect off-nominal or abnormal performance or health, it is not necessarily capable of performing a thorough or detailed diagnosis. Limited diagnostic information may be available under some circumstances. For example, the distance of a vector of incoming sensor data from the nearest cluster could serve as an indication of the severity of a malfunction. The identity of the nearest cluster may be a clue as to the identity of the malfunctioning component or subsystem. It is possible to decrease the IMS computation time by use of a combination of cluster-indexing and -retrieval methods. For example, in one method, the distances between each cluster and two or more reference vectors can be used for the purpose of indexing and retrieval. The clusters are sorted into a list according to these distance values, typically in ascending order of distance. When a set of input data arrives and is to be tested, the data are first arranged as an ordered set (that is, a vector). The distances from the input vector to the reference points are computed. The search of clusters from the list can then be limited to those clusters lying within a certain distance range from the input vector; the computation time is reduced by not searching the clusters at a greater distance.

Iverson, David L.

Genetically Engineered Microelectronic Infrared Filters

A genetic algorithm is used for design of infrared filters and in the understanding of the material structure of a resonant tunneling diode. These two components are examples of microdevices and nanodevices that can be numerically simulated using fundamental mathematical and physical models. Because the number of parameters that can be used in the design of one of these devices is large, and because experimental exploration of the design space is unfeasible, reliable software models integrated with global optimization methods are examined The genetic algorithm and engineering design codes have been implemented on massively parallel computers to exploit their high performance. Design results are presented for the infrared filter showing new and optimized device design. Results for nanodevices are presented in a companion paper at this workshop.

Cwik, Tom

System Advisor Model (SAM) [Slides]

The System Advisor Model (SAM) is a free software that enables detailed performance and financial analysis for energy systems. • Conducts technoeconomic analysis of energy technologies to facilitate planning and decision making.

29 ENERGY PLANNING, POLICY, AND ECONOMY

PV Operations Software Transparency: A PVMAC Industry Snapshot

The rapid growth of photovoltaic (PV) deployment has increased reliance on software platforms for monitoring, workflow automation, diagnostics, and performance analytics. As these tools play a central role in asset management and operations and maintenance (O&M), greater transparency in methodologies, data handling, and validation practices benefits the broader PV ecosystem. To better understand current practices and identify opportunities for improved clarity and interoperability, 24 software providers contributed detailed responses through the PV O&M Analytics Collaborative (PVMAC) initiative, the first structured questionnaire of its kind in the industry, covering onboarding, interoperability, data quality, diagnostics, AI/ML, and other operational categories. These providers represent over 1.1 TW of solar assets under management. The analysis shows broad adoption of digital twins, AI/ML, and API integrations, but also highlights challenges in onboarding processes, inconsistent definitions and methodologies, variability in key performance indicator (KPI) calculations, and limited independent validation. Greater standardization, clearer documentation, and stronger validation frameworks could improve transparency, comparability, and trust across PV operations software platforms.

14 SOLAR ENERGY

Tensoral: A system for post-processing turbulence simulation data

Many computer simulations in engineering and science -- and especially in computational fluid dynamics (CFD) -- produce huge quantities of numerical data. These data are often so large as to make even relatively simple post-processing of this data unwieldy. The data, once computed and quality-assured, is most likely analyzed by only a few people. As a result, much useful numerical data is under-utilized. Since future state-of-the-art simulations will produce even larger datasets, will use more complex flow geometries, and will be performed on more complex supercomputers, data management issues will become increasingly cumbersome. My goal is to provide software which will automate the present and future task of managing and post-processing large turbulence datasets. My research has focused on the development of these software tools -- specifically, through the development of a very high-level language called 'Tensoral'. The ultimate goal of Tensoral is to convert high-level mathematical expressions (tensor algebra, calculus, and statistics) into efficient low-level programs which numerically calculate these expressions given simulation datasets. This approach to the database and post-processing problem has several advantages. Using Tensoral the numerical and data management details of a simulation are shielded from the concerns of the end user. This shielding is carried out without sacrificing post-processor efficiency and robustness. Another advantage of Tensoral is that its very high-level nature lends itself to portability across a wide variety of computing (and supercomputing) platforms. This is especially important considering the rapidity of changes in supercomputing hardware.

Dresselhaus, Eliot

Prefeasibility Assessment for Solar PV and Storage for Critical Community Facilities in Chernihiv, Ukraine [Slides]

A prefeasibility analysis is performed for integrating solar photovoltaics and battery energy storage at four critical facilities in Chernihiv, Ukraine. The facilities were identified by Chernihiv city officials and include Hospital No. 2, the Maternity Hospital, Secondary School No. 11, and Preschool No. 4. The analyses were performed using NREL's REopt decision-support software tool. The analysis identifies potential capacities for PV and battery energy storage to provide both economic and resilience benefits. The conceptual architecture and estimates of key summary financial and performance metrics are presented.

14 SOLAR ENERGY

Towards real-time simulation of large space structures: Stabilization of fluid/thermal/structure interactions and implementation on high performance supercomputers

Within the Center for Space Construction, the SIMSTRUC project's objectives center around the development of simulation tools for the realistic analysis of large space structures. The word 'tools' is the broad sense; it designates mathematical models, finite element/finite difference formulations, computational algorithms, implementations on advanced computer architectures, and visualization capabilities. The results of our activities during the first year within the SIMSTRUC project are reported. On the modeling side, an alternative approach to fluid/thermal/structure interaction analysis that is a departure from the 'loosely coupled' and 'unified' approaches that are being currently practiced are described. The advantages of our approach both in terms of accuracy and computational efficiency were demonstrated. On the computational side, a software architecture for parallel/vector and massively parallel supercomputers that speeds up finite element and finite difference computations by several orders of magnitude is presented. As an example, the simulation of the deployment of a space structure that used to require over six hours of a workstation using a conventional finite element software, now runs on a multiprocessor using a parallel computation strategy in less than three seconds. In order to promote the physical understanding of the simulation behavior, a real-time visualization capability on the Connection Machine, which allows the analyst to watch the graphical animation of the results at the same time these are generated, was also developed. It is believed that by combining efficient analytical formulations with the state-of-the-art high performance computer implementations and superfast visualization capabilities, SIMSTRUC is moving fast towards the real-time simulation of large space structures. The designers as well as the researchers will certainly benefit from this technology.

Farhat, C.

Integrated Analysis Capability pilot computer program

An integrated analysis capability (IAC) computer software package was developed for the design analysis and performance evaluation of large space systems. The IAC aids the user in coupling the required technical disciplines (initially structures, thermal and controls), providing analysis solution paths which reveal critical interactive effects in order to study loads, stability and mission performance. Existing technical software modules, having a wide existing user community, are combined with the interface software to bridge between the different technologies and mathematical modeling techniques. The package is supported by executive, data management and interactive graphics software, with primary development within the superminicomputer environment.

Vos, R. G.

ExaCA v2.0: A versatile, scalable, and performance portable cellular automata application for additive manufacturing solidification

The previously established ExaCA software for performance portable alloy grain structure simulation has been updated to better represent the solidification behavior during complex alloy processing conditions, such as those encountered during metal additive manufacturing (AM), and for improved performance and scalability. Here, an extension to the time–temperature history input data format and the core ExaCA algorithm to include an arbitrary number of melting and solidification events yielded improved prediction of texture for various melt pool geometries, expanding the range of AM-relevant conditions that can be accurately simulated. Improved heat transport process simulation coupling, including the creation of large raster datasets from single track time–temperature history data and in-memory coupling with the new, performance portable finite difference code Finch, were also demonstrated in example studies on the effect of multilayer AM microstructure predictions on hatch spacing and cell size, respectively. Additional new features are detailed and demonstrated, including the ability to perform simulations using various interfacial response function forms, execute simulations on state-of-the-art hardware, improved usability through post-processing versatility, and improved strong and weak scaling performance. The performance, physics, and versatility improvements demonstrated here will further enable large-scale studies on AM process–microstructure relationships that were not previously possible. Furthermore, the usability improvements and ability to run coupled AM process–microstructure simulations using the Finch-ExaCA workflow will facilitate broader use of this open-source software by the computational materials community.

36 MATERIALS SCIENCE

Promoting regulatory acceptance of combined ion and neutron irradiation testing of nuclear reactor materials: Modeling and software considerations

As the needs for the nuclear energy industry continue to evolve in the 21st century, timely adoption of new technological solutions acceptable to regulatory agencies is critical. Quantitative prediction of radiation damage in materials and its impact on mechanical properties is a key component of licensing and regulatory decisions regarding nuclear power plants. Accelerated testing methodologies such as combined ion and neutron irradiation data sets are crucial for the development and deployment of new materials and new manufacturing methods (e.g., additive manufacturing). However, regulatory acceptance of accelerated testing methodologies is necessary for their adoption. Further, the present work discusses the fundamental basis for comparing ion- and neutron-induced material microstructures, the theory behind interpreting radiation damage across length and time scales and radiation types, and the codes, standards, and quality assurance concerns surrounding different modeling methods and software. In particular, recommendations are given as to the path forward that will enable national laboratories, academia, and industry to develop the modeling and software basis for regulatory acceptance of the combined use of ion and neutron irradiation for material performance evaluation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS

DOE FAIR Surrogate Benchmarks Supporting AI and Simulation Research (SBI Surrogate Benchmark Initiative) (Final Report)

Computational Science is being revolutionized by integrating AI and simulation and, in particular, by deep learning surrogate models that can replace all or part of traditional large‐scale HPC computations. Such surrogates can achieve remarkable performance improvements, as much as several orders of magnitude, and save both compute time and energy. The Surrogate Benchmark Initiative (SBI) project creates a community repository and FAIR (Findable, Accessible, Interoperable, and Reusable) data ecosystem for HPC application surrogate benchmarks. The SBI team comes from Argonne National Laboratory (ANL), Indiana University (IU), Rutgers University, the University of Tennessee, Knoxville (UTK), and the University of Virginia(UVA). SBI repositories include data, code, and all relevant collateral artifacts, that the science and engineering community needs to use and reuse these data sets and surrogates. SBI repositories generate active research from both participants in SBI and the broader AI and domain science communities. This project develops surrogates that use several different neural nets to learn and quickly infer the results of simulations and data systems and capture them as surrogate benchmarks with a rich set of metadata, covering. Data; Model; Metrics specification; Machine specification; Science, Speed, Power Results, We research FAIR metadata for these benchmarks. We develop application surrogate examples as benchmarks across many fields (ANL, UTK, IU, UVA). We also study non Surrogate benchmarks that have many common features and similar issues regarding FAIRness. We work with MLCommons (UVA, UTK), which is a major machine learning benchmarking activity where we get metadata ontologies, software, and benchmarks, benchmarks have datasets, models, and metadata, and they need a technical framework developed by UTK and Rutgers and deployed by UVA. We study features of Surrogates, including performance, training set size, and uncertainty quantification (Rutgers, UVA and IU).

97 MATHEMATICS AND COMPUTING

Developing the Next Generation of Science Data System Engineers

At Goddard, engineers and scientists with a range of experience in science data systems are needed to employ new technologies and develop advances in capabilities for supporting new Earth and Space science research. Engineers with extensive experience in science data, software engineering and computer-information architectures are needed to lead and perform these activities. The increasing types and complexity of instrument data and emerging computer technologies coupled with the current shortage of computer engineers with backgrounds in science has led the need to develop a career path for science data systems engineers and architects.The current career path, in which undergraduate students studying various disciplines such as Computer Engineering or Physical Scientist, generally begins with serving on a development team in any of the disciplines where they can work in depth on existing Goddard data systems or serve with a specific NASA science team. There they begin to understand the data, infuse technologies, and begin to know the architectures of science data systems. From here the typical career involves peermentoring, on-the-job training or graduate level studies in analytics, computational science and applied science and mathematics. At the most senior level, engineers become subject matter experts and system architect experts, leading discipline-specific data centers and large software development projects. They are recognized as a subject matter expert in a science domain, they have project management expertise, lead standards efforts and lead international projects. A long career development remains necessary not only because of the breadth of knowledge required across physical sciences and engineering disciplines, but also because of the diversity of instrument data being developed today both by NASA and international partner agencies and because multidiscipline science and practitioner communities expect to have access to all types of observational data.This paper describes an approach to defining career-path guidance for college-bound high school and undergraduate engineering students, junior and senior engineers from various disciplines.

Next Generation of Science

Transforming Science Through Software: Improving While Delivering 100×

The U.S. Department of Energy (DOE) Exascale Computing Project (ECP) funded the development of new (and the transformation of important existing) applications, libraries, and tools that realized improvement in performance and capabilities of often 100 times or more on emerging exascale computers. This exceptional gain inspired the title of this special issue: Transforming Science through Software: Improving while delivering 100X. The term 100X refers to advancing capabilities in modeling, simulation, and analysis by a factor of 100 or more using some combination of new algorithms, optimization techniques, software libraries, and programming models, coupled with the next generation of hardware for high-performance computing (HPC). The papers in this issue share experiences with the practice and science of scientific software development, with an emphasis on developing a coherent, portable, and sustainable HPC software ecosystem for next-generation computational science. Finally, we hope to foster expanded community efforts related to the fundamental role of sustainable scientific software ecosystems in advancing the computing sciences.

97 MATHEMATICS AND COMPUTING

UltraSep Acoustic Separation Platform

UltraSep is an intelligent ultrasonic separation platform that transforms solid–liquid separation through real-time eigenfrequency resonance locking and ultra-low power energy optimization. By dynamically matching ultrasonic output to system resonance while maximizing particulate removal per unit of applied energy, UltraSep replaces centrifugation and fouling-prone filtration with precision-controlled acoustic forces that significantly reduce power consumption, mechanical complexity, and operating cost while improving recovery performance. This integrated platform unites patented resonance-based acoustic control and energy-per-removal optimization with chemistry-enhanced separation and proprietary system software into a scalable, high-impact commercial technology.

42 ENGINEERING

DASSH-F: Subchannel Based Thermal Analysis

The DASSH thermal analysis code is designed to rapidly allow a reactor design engineer to obtain flow rates requirements that satisfy peak temperature constraints in the domain. The advantage of using DASSH over a hand calculation is that it has a more rigorous treatment of the pin power distribution and coolant heat transfer within an assembly and between assemblies. The advantage of using DASSH over a conventional 3D subchannel code or a computational fluid dynamics code (CFD) is that it can obtain the desired solution in a matter of minutes in serial with minor computer memory needs. The DASSH methodology for pin lattice models is virtually identical to SUPERENERGY-2 with additional functionalities taken from follow on work to SUPERENERGY-2 done at ANL in the 1980s. DASSH today is an integral component of the Argonne Fast Reactor analysis suite for reactor design work. DASSH obtains the power distribution from a coupled neutron-gamma heating calculation in GAMSOR (including DIF3D) at each time point of a companion fuel cycle analysis calculation with REBUS. The domain in DASSH assumes a hexagonal grid typical for fast reactors with much of the geometry information taken from the DIF3D model. DASSH assumes the assemblies that are loaded into each grid position are ducted to control the coolant flow. The user can alternatively provide their own geometry and power profile instead of inheriting it from DIF3D. Considerable detail is given on the subchannel formulation of DASSH in this document. Much of the formulation and design of the code builds upon research done by previous authors with little new investigation. Thus the decisions made in developing the subchannel model used in DASSH have their origins over 50 years ago. Much of the heat transfer methodology in DASSH is built upon correlations for both the coolant mixing and heat transfer coefficients for pins and ducts. DASSH is thus not a rigorous treatment of a given problem, but a rapid assessment of the temperature field that has known limitations with respect to an experimental measurement or CFD calculation. The DASSH input and output are detailed along with usage of the software. The DASSH output provides tables of evaluated material properties and key coolant and pin temperature results. DASSH can create Python scripts that generate domain summary pictures. DASSH can also generate assembly temperature maps and VTK output files which allow the DASSH solution to be visualized. As the primary purpose of the DASSH software is to compute the coolant and fuel pin temperature distribution for a given model of a reactor, much of the output focus is giving the user quick summary tables needed to assess the performance of a given orifice flow specification. The present version of DASSH has a crude orifice search capability and a sufficient orifice flow search capability. The flow search tries to meet user specified constraints for 1) peak 2-sigma clad temperature, 2) peak coolant temperature, and 3) desired bulk outlet temperature. This document serves as the manual for the Fortran based DASSH software that was developed to replace the Python version of DASSH developed as part of the VTR program.

22 GENERAL STUDIES OF NUCLEAR REACTORS

Equilipy: a python package for calculating phase equilibria

The CALPHAD (CALculation of PHAse Diagram) approach (Nigel Saunders & Miodownik, 1998) provides predictions for thermodynamically stable phases in multicomponent-multiphase materials across a wide range of temperatures. Consequently, the CALPHAD calculations became an essential tool in materials and process design (Luo, 2015). Such design tasks frequently require navigating a high-dimensional space due to multiple components involved in the system. This increasing complexity demands high-throughput CALPHAD calculations, especially in the rapidly evolving field of alloy design. In response to the need, we developed Equilipy an open-source Python package designed for calculating phase equilibria of multicomponent-multiphase systems. Equilipy is specifically tailored for high-throughput CALPHAD calculations, offering parallel computations across multiple processors and nodes with the given NPT input conditions namely elemental compositions (N), pressure (P), and temperature (T). Equilipy utilizes the program structure and Gibbs energy functions from the Fortran-based program, Thermochimica (Piro et al., 2013), with incorporating a new Gibbs energy minimization algorithm. This algorithm, originally developed by Capitani and Brown in 1987 (Capitani & Brown, 1987), has been revised and implemented to enhance the stability and performance of calculations. The Fortran codes are precompiled and interfaced with Python via F2PY, ensuring high computation speed. Benchmark tests shown in Figure 1 demonstrate that Equilipy’s computation speed is comparable to those of established commercial software, TC-Python and PanPython. This result highlights its efficiency and potential applications in various scientific and industrial fields.

97 MATHEMATICS AND COMPUTING

PowerAnalytics.jl: User-Centric Power Systems Analysis in Julia

The National Laboratory of the Rockies recently released version 1 of PowerAnalytics.jl, an analysis module for the outputs of its popular open-source electrical power systems modeling platform Sienna. It features an extensible framework - based on the flexible selecting of components, the execution of arbitrary metrics on them, and a familiar DataFrames-based output interface with embedded metadata - to process results in the Sienna style while keeping the interface as simple as possible for non-Julia experts. Here, I describe the package and where it fits into the Sienna ecosystem, how I harnessed user-centered design and Julia features to achieve beginner friendliness without sacrificing performance and expressibility, and what lessons might be drawn from the package's design and implementation.

97 MATHEMATICS AND COMPUTING

High Performance Computing Management: A Sustainable System Software Approach

The demand for high performance computing (HPC) resources continues to grow, driven by the increasing complexity of modeling and simulation, artificial intelligence (AI), and machine learning (ML) workloads [Porter]. The growing energy consumption demand of these HPC systems is a significant concern, both in terms of operational costs and environmental impact. AI hardware accelerators are expected to reach 1.5% of the world’s power consumption by 2029 [Shah].

97 - MATHEMATICS AND COMPUTING