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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Parallel Grid-Forming Inverter-Driven Black Start: Power-Hardware-in-the-Loop Validation: Preprint

With power systems encountering increasing deployment levels of inverter-based resources (IBRs), system restoration using grid-forming (GFM) IBRs has gained attention. Engineered to establish grid voltages in the absence of a stiff grid, black-start-capable GFM IBRs are expected to enhance power system resilience by playing a critical role in bottom-up system restoration. This paper experimentally studies the feasibility of the novel approach through power-hardware-in-the-loop (PHIL) testing and validation with a commercial GFM inverter. The PHIL test setup demonstrates an inverter-driven black start of a 5-MW unbalanced distribution feeder where two GFM inverters collectively black start the feeder: one is a commercial hardware GFM inverter interacting through the PHIL interface, and the other is a software GFM emulated by a real-time simulation with full electromagnetic transient (EMT) models. Both GFM inverters are equipped with negative-sequence voltage control to suppress the voltage imbalance resulting from the unbalanced loading, allowing us to study the dynamic interactions between the GFMs with their control parameters unknown. To evaluate the dynamic behavior of the GFM inverters under the entire black-start process, the EMT model of the distribution system details the transformer and motor dynamics to emulate their inrush and startup behaviors. It abstracts conventional grid-connected inverter dynamics, i.e., grid-following inverters. Oscilloscope measurements of the hardware GFM inverter are also presented for critical steps. Takeaways for further study and field deployment are provided.

grid-forming inverter↗
DOE OSTI2024

Improving and Automating Building Model Data Exchange

There are many instances throughout a project’s lifecycle where there arises a need for quick and accurate risk assessment of building designs. For example, an unexpected design change during construction may necessitate structural engineers to perform a seismic risk assessment on analytical models of the updated building design using high fidelity structural analysis software, such as ANSYS or Abaqus. However, the efficiency of such workflows often depends upon the interoperability of architectural design software and structural analysis software. When the quality of this interoperability is lacking or even non-existent, the efficiency of virtual engineering workflows is hampered, which increases project costs. A McGraw Hill industry survey of professional users of Building Information Modeling (BIM) technologies found that there is high demand for BIM interoperability for structural analysis, but that the value/difficulty ratio is currently too low for practical use. There have been efforts by the academic community to facilitate model data exchange between the architectural design and structural analysis domains, but such solutions have not been widely adopted by industry, face technical challenges, and oftentimes are limited in applicability for users of various BIM software. Therefore, INL is developing capabilities to improve, automate, and generalize model data exchange between architectural BIM software (e.g., Revit) and structural analysis software (e.g., SAP2000, ANSYS). The goal is to help expedite and automate as much of the pre-processing step for creating analytical models in finite element analysis software as reasonably as possible. Such a "BIM-to-FEA" conversion tool should provide direct benefit to end-users through accuracy, automation, quick turn-around, and wide applicability. To generalize the application of this BIM-to-FEA conversion tool and increase its useability among the many different commercial BIM software currently used by industry, the program is being developed with the concept of openBIM. OpenBIM is the application of non-proprietary, open data standards that allow for BIM model data exchange in a format that is accessible, retainable, and useable for all users. The most widely used open, non-proprietary data exchange format for BIM is the Industry Foundation Classes (IFC) schema. IFC is developed by buildingSMART international and is ISO certified (ISO 16739-1:2018). The BIM-to-FEA conversion tool is being developed for compatibility with typical commercial building designs of steel framed structures. The tool is currently capable of importing architectural BIM data of framed building structures, recognizing and extracting the aspects of the model that are required for structural analysis, adjusting the connectivity of frame members, and finally exporting to an analytical model stored in the IFC format. The exported IFC analytical model can then be imported into various openBIM compliant software, such as SAP2000. Such capabilities have already been tested on commercial software, as shown above, and continue to be improved. Work is underway to test the conversion on various commercial BIM software, develop a user-friendly interface, incorporate the program into the broader DeepLynx data warehouse project being developed by INL, and to eventually open-source the tool for the benefit of the community. Future development of the tool envisions the ability for efficient iterative risk assessment of generative building designs, all within a workflow utilizing open-source tools. One such open-source tool will be MOOSE, an advanced finite element analysis tool developed at INL. The conversion tool will also branch out from typical commercial building designs and will aim to incorporate nuclear construction. The aim will be to convert both structural and non-structural components of nuclear facilities, such as curved concrete containment structures and piping systems, respectively.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

EnergyPlus Model Context Protocol Server (EnergyPlus-MCP) v0.1

EnergyPlus-MCP is the first open-source Model Context Protocol server specifically designed for EnergyPlus building energy simulation. This innovative software enables AI assistants and other applications to interact programmatically with EnergyPlus through a standardized, secure interface, eliminating traditional technical barriers in building energy modeling. The software provides specialized tools across five functional domains: server management, model configuration and loading, comprehensive building component inspection, systematic model modification, and simulation execution with results visualization. Key features include automated HVAC system discovery and topology mapping, advanced schedule analysis, intelligent model validation, and interactive visualization capabilities. EnergyPlus-MCP's layered architecture ensures robust separation between protocol communication and domain expertise, enabling scalable deployment across organizations, educational institutions, and research teams. Unlike direct LLM approaches that suffer from inconsistent results and security gaps, EnergyPlus-MCP provides validated, reliable interactions while maintaining scientific rigor. This democratizes sophisticated building energy analysis, making EnergyPlus accessible to broader audiences through conversational interfaces and streamlined workflows.

Li, Han [Lawrence Berkeley National Laboratory (LB↗
DOE OSTI2021

Multichannel Analysis of Surface Waves Accelerated (MASWAccelerated): Software for efficient surface wave inversion using MPI and GPUs

Multichannel Analysis of Surface Waves (MASW) is a technique frequently used in geotechnical engineering and engineering geophysics to infer 1D layered models of seismic shear wave velocities in the top tens to hundreds of meters of the subsurface. We aim to accelerate MASW calculations by capitalizing on modern computer hardware available in the workstations of most engineers: multiple cores and graphics processing units (GPUs). We propose new parallel and GPU accelerated algorithms for computing 1D MASW inversion, and provide software implementations in C using Message Passing Interface (MPI) and CUDA. These algorithms take advantage of sparsity that arises in the problem, and the work balance between processes considers typical data trends. We compare our methods to an existing open source Matlab MASW tool. Our serial C implementation achieves a 2x speedup over the Matlab software, and we continue to see improvements by parallelizing the problem with MPI. Here we see nearly perfect strong and weak scaling for uniform data, and improve strong scaling for realistic data by repartitioning the problem to process mapping. By utilizing GPUs available on most modern workstations, we observe an additional 1.3x speedup over the serial C implementation on the first use of the method. We typically repeatedly evaluate theoretical dispersion curves as part of an optimization procedure, and on the GPU the kernel can be cached for faster reuse on later runs. We observe a 3.2x speedup on the cached GPU runs compared to the serial C runs. This work is the first open-source parallel or GPU-accelerated software tool for MASW imaging, and should enable geotechnical engineers to fully utilize all computer hardware at their disposal.

58 GEOSCIENCES↗
DOE OSTI2024

ISO_Fortran_binding_m v0.1.0

The Fortran programming language standard defines a broad feature set supporting the interoperability of Fortran programs with program written according to the C programming language standard. Among Fortran's C-interoperability features is a a C header file "ISO_Fortran_binding.h" This header file defines the interface to various C data structures and functions that C programs may use to access Fortran data entities. The ISO_Fortran_binding_m software defines a native Fortran module that presents an interface to these same data structures and functions. ISO_Fortran_bind_m thus enables Fortran programs to access and manipulate Fortran entities in ways that precisely mirror what C programs can do using ISO_Fortran_binding.h. ISO_Fortran_binding_m facilitates writing portable standard-conforming Fortran programs that emulate non-interoperable features, e.g., dynamic polymorphism, in a standard-conforming interoperable way similar but broader than what is demonstrated in Berkeley Lab's Caffeine software [1]. ISO_Fortran_binding_m also enables a Fortran programmer to extend Fortran's capabilities to emulate certain C functionality such as memory address arithmetic or computing C's "sizeof" function. [1] https://github.com/BerkeleyLab/caffeine/blob/213e3df1c319f0663306354414f352acda42a24f/src/caffeine/collective_subroutines/co_reduce_s.f90#L88 [2] https://github.com/BerkeleyLab/ISO_Fortran_binding_m/blob/0c585362bb4f2c72cf9049c800a7115b529ec533/src/iso_fortran_binding_m.F90#L196

Rouson, Damian↗
DOE OSTI2018

GrammarViz 3.0: Interactive Discovery of Variable-Length Time Series Patterns

The problems of recurrent and anomalous pattern discovery in time series, e.g., motifs and discords, respectively, have received a lot of attention from researchers in the past decade. However, since the pattern search space is usually intractable, most existing detection algorithms require that the patterns have discriminative characteristics and have its length known in advance and provided as input, which is an unreasonable requirement for many real-world problems. In addition, patterns of similar structure, but of different lengths may co-exist in a time series. In order to address these issues, we have developed algorithms for variable-length time series pattern discovery that are based on symbolic discretization and grammar inference—two techniques whose combination enables the structured reduction of the search space and discovery of the candidate patterns in linear time. In this work, we present GrammarViz 3.0—a software package that provides implementations of proposed algorithms and graphical user interface for interactive variable-length time series pattern discovery. The current version of the software provides an alternative grammar inference algorithm that improves the time series motif discovery workflow, and introduces an experimental procedure for automated discretization parameter selection that builds upon the minimum cardinality maximum cover principle and aids the time series recurrent and anomalous pattern discovery.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Deeplynx Supervisory Control Adapter

This software is intended to facilitate the sending of data from DeepLynx to some human machine interface (HMI). The HMI would read the data generated by this software and potentially make a physical change on a process which the HMI controls. This software enables a digital twin using DeepLynx to talk to an HMI, thereby making autonomous updates to the physical asset which is being twinned.

Wilsdon, KatherineN [Idaho National Laboratory] (0↗
DOE OSTI2021

Building Efficiency Targeting Tool for Energy Retrofits (BETTER) Web Application (BETTER Web App) v1.0

The Building Efficiency Targeting Tool for Energy Retrofits (BETTER) V.1.0 web application identifies cost-saving energy and emissions reductions in buildings and portfolios, without site visits or complex modeling. With minimal data entry, BETTER benchmarks a building's or portfolio's energy use against peers; quantifies energy, cost, and greenhouse gas (GHG) reduction potential; and recommends energy efficiency measures for individual buildings or portfolios, targeting specific energy savings levels. The source code of BETTER's modular, cross-platform analytical engine has previously been disclosed (2019-001) and is available on GitHub and can be adopted, redeveloped, and redistributed freely under an open-source license, allowing users to incorporate BETTER's analytical capabilities into their own software platforms and tools. The BETTER V.1.0 web application, developed with the Django web-framework and the Model-View-Controller (MVC) architecture being disclosed here, provides a graphical user interface (GUI) for any user to view the software tutorials, download and upload a data entry template, configure and run the BETTER analyses, and view the final analytical reports.

Szum, Carolyn↗
DOE OSTI2019

Blackcomb2: Hardware-Software Co-design for Nonvolatile Memory in Exascale Systems

The impending shift from DRAM and Flash to fast nonvolatile memory (NVM) provides a game-changing opportunity to rethink traditional system architectures; to address their energy inefficiencies; to leverage the new devices for greater performance; and to exploit the new capability of nonvolatility to enhance system resilience, even in the face of larger system scale and degraded reliability of components. Building on the accomplishments of the Blackcomb Project, funded in 2010, we propose to identify, evaluate, and optimize the most promising NVM hardware and software technologies, which are essential to provide the necessary memory capacity, performance, resilience, and energy efficiency in exascale systems. Capacity and energy are the key drivers. Today's pressing application requirements mandate exascale computing; the datasets and concurrency of these applications demand memory capacity that cannot be met by traditional memory technologies. Although charge-based DRAM will endure, experts foresee only modest DRAM capacity gains. And, as moving data between levels of the hierarchy, and storing and accessing data on disk consumes significant energy, a more energy efficient solution is required. We, therefore, posit that exascale systems will need high density, energy-efficient storage technologies, such as nonvolatile memory for access, transformation, and management of exascale data. To address these issues, in this renewal request, we propose continue the work of our vertically- integrated, focussed team, where our co-design is informed by proxies and interactions with DOE co-design centers. In software, we start by assuming that nonvolatility requires new abstractions and new infrastructure, allowing persistent objects, and delivering performance gains for _le systems and robustness through fast checkpointing. In architecture, we evaluate the tradeoffs of performance and energy by employing a scalable and accurate simulation system to analyze realistic proxy applications. Through this co-design process, we rethink the whole memory architecture, from the cell to the array to the device, with ECC, wearout management, and interfaces. Finally, we provide open-source software models of these NVM-based memory systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Parallel Fenics Implementation of Block Solvers (pFibs)

This software is a Python package designed to act as an interface between FEniCS and PETSc to facilitate the construction and application of parallel block solvers/preconditioners. The original intent of this software was to help enable Battery and Wind Farm simulations for use on high performance computing systems. The code is written in Python and uses the petsc4py module to access the more advance features of the PETSc Krylov Solver. In essence, pFibs is an interface to make accessing these features more streamlined. Additionally, pFibs also provides a template for building custom Python based preconditioning algorithms.

Allen, Jeffery↗
DOE OSTI2019

Presentation layer of CMS Online Monitoring System

The Compact Muon Solenoid (CMS) is one of the experiments at the CERN Large Hadron Collider (LHC). The CMS Online Monitoring system (OMS) is an upgrade and successor to the CMS Web-Based Monitoring (WBM)system, which is an essential tool for shift crew members, detector subsystem experts, operations coordinators, and those performing physics analyses. The CMS OMS is divided into aggregation and presentation layers. Communication between layers uses RESTful JSON:API compliant requests. The aggregation layer is responsible for collecting data from heterogeneous sources, storage of transformed and pre-calculated (aggregated) values and exposure of data via the RESTful API. The presentation layer displays detector information via a modern, user-friendly and customizable web interface. The CMS OMS user interface is composed of a set of cutting-edge software frameworks and tools to display non-event data to any authenticated CMS user worldwide. The web interface tree-like component structure comprises (top-down): workspaces, folders, pages, controllers and portlets. A clear hierarchy gives the required flexibility and control for content organization. Each bottom element instantiates a portlet and is a reusable component that displays a single aspect of data, like a table, a plot, an article, etc. Pages consist of multiple different portlets and can be customized at runtime by using a drag-and-drop technique. This is how a single page can easily include information from multiple online sources. Different pages give access to a summary of the current status of the experiment, as well as convenient access to historical data. This paper describes the CMS OMS architecture, core concepts and technologies of the presentation layer.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Yeast Transformation on Hamilton Vantage (YT Vantage) v1

Our software program is designed for the Hamilton Vantage liquid handling robot, automating the Build step in the Design-Build-Test-Learn (DBTL) cycle for Saccharomyces cerevisiae. This program minimizes human intervention, enabling rapid identification of pathway bottlenecks and genes that enhance verazine production. The program takes competent yeast and plasmid DNA as input and generates an output library of engineered strains compatible with automated colony picking, high-throughput culturing, and chemical extraction for downstream LC-MS analysis. A user-friendly interface, developed using the Hamilton Method Editor software, allows for on-demand parameter customization. By automating this process, our program streamlines the construction of Saccharomyces cerevisiae, reducing manual labor and increasing efficiency. While the manual process is well-documented, integration with robotic automation is less common, making our program a valuable tool for researchers. With this software, we achieved 2-5 fold increases in verazine production, demonstrating its potential to accelerate research in this field.

Louie, Randy [Lawrence Berkeley National Laborator↗
DOE OSTI2018

Updated status of the ART neutronic fast reactor tools integration to the NEAMS Workbench

The Workbench initiative was launched in FY-2017 within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Integration Product Line to facilitate the transition from conventional tools to high-fidelity tools. The Workbench provides a common user interface for model creation, real-time validation, execution, output processing, and visualization for integrated codes. The integration of the Argonne Reactor Computation (ARC) suite of codes into the NEAMS Workbench was initiated in FY-2017. The ARC codes contain both legacy codes like DIF3D and REBUS-3 that were developed with over 30 years of experience, and newer NEAMS additions like MC 2 -3 and PERSENT. The ARC integration into the NEAMS Workbench interface relies on the PyARC module which handles the pre- and post-processing of the native ARC codes input, and the runtime environment. The PyARC module together with the NEAMS Workbench interface are both released under Open Source Software licenses. This report describes the ARC capabilities available with the Workbench at the end of FY-2018, and a tutorial is provided together with the automatically-generated code documentation. Integrating the ARC codes into the Workbench benefits directly the Advanced Reactor Technology (ART) Campaign by providing a set of controlled, maintained and validated scripts to generate ARC inputs, which promotes best practices, reduces the learning curve, and facilitates project collaboration. The second benefit from this project is to improve the user experience with the ARC codes: the Workbench interface provides assistance for building an input through auto-completion, real-time validation, access to templates, and visualization. Finally, the ARC integration into the NEAMS Workbench enables new modeling capabilities, those will be extremely useful for advanced reactor design and analyses. The PyARC module facilitates and automatizes complex calculations and workflows for reactor analysis enabling geometrical perturbations, cross-section update through depletion, etc. The Dakota/PyARC coupling in the Workbench was also demonstrated to enable mathematical optimization and sensitivity analysis/uncertainty quantification (SA/UQ) techniques with ARC neutronic simulations. For demonstration purposes, the ARC codes were used through the Workbench for solving the Sodium-cooled Fast Reactor Uncertainty Analysis in Modelling (SFR-UAM) benchmark problems. The ARC codes are currently used at ANL through the Workbench by nuclear engineers for SFR core design analyses. Future efforts will focus on continuously adding modeling capabilities available with the ARC codes, training new users to continue building some experience, and on integrating high-fidelity codes such as PROTEUS into the Workbench.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Mantaray: A Rust Package for Ray Tracing Ocean Surface Gravity Waves

Ocean surface gravity waves are an important component of air-sea interaction, influencing energy, momentum, and gas exchanges across the ocean-atmosphere interface. In specific applications such as refraction by ocean currents or bathymetry, ray tracing provides a computationally efficient way to gain insight into wave propagation. In this paper, we introduce Mantaray, an open-source software package implemented in Rust, with a Python interface, that solves the ray equations for ocean surface gravity waves. Mantaray is designed for performance, robustness, and ease of use. The package is modular to facilitate further development and can currently be applied to both idealized and realistic wave propagation problems (Fig. 1).

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Monte Carlo Simulation with CAD Interface for Calculation of 3D Maps of Residual Dose (CRADA)

Objective: To develop an easy-to-use software application to predict and mitigate radiation effects in research environment, space instruments, nuclear plants and medical facilities and help nonproliferation and national security efforts. Tech-X will develop standalone software libraries and command-line tools for ( 1) translating CAD into tessellated surfaces and tetrahedral meshes in GDML (for Geant4 and MARS 15), ROOT (for MARS 15) and HDF5 (for compact representation and for the visualization) formats, (2) healing CAD geometries to make them suitable for Monte Carlo simulations; (3) creating uniform and variable Cartesian and cylindrical meshes for detailed scoring; and ( 4) efficient Monte Carlo navigation in CAD geometries. JLAB will finish automation of simulations of residual dose in CAD geometries and integrate Tech-X software into Geant4 and MARS15. Finally, Tech-X will develop a Graphical User Interface to set up and heal CAD geometries, create input files, run and visualize simulations for residual dose. This application will run on local desktops, local and remote clusters and supercomputers and will be made available through public clouds, such as Amazon Web Services.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Automation Scripts for Feeder Analysis using CymPy

SAND2025-00330O Automation Scripts for Feeder Analysis using CymPy is a software tool that uses Python scripts to automate the analysis of power system feeders using CYME software. Utilities and researchers can use it to perform various types of analyses by leveraging the capabilities of CYME. The scripts use the CymPy library to interface with CYME and automate the analysis process. The software uses standard Python libraries along with the Eaton CymPy library. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525

Reno, Matthew↗
DOE OSTI2020

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

TURBOMOLE is a collaborative, multi-national software development project aiming to provide highly efficient and stable computational tools for quantum chemical simulations of molecules, clusters, periodic systems, and solutions. The TURBOMOLE software suite is optimized for widely available, inexpensive, and resource-efficient hardware such as multi-core workstations and small computer clusters. TURBOMOLE specializes in electronic structure methods with outstanding accuracy–cost ratio, such as density functional theory including local hybrids and the random phase approximation (RPA), GW-Bethe–Salpeter methods, second-order Møller–Plesset theory, and explicitly correlated coupled-cluster methods. TURBOMOLE is based on Gaussian basis sets and has been pivotal for the development of many fast and low-scaling algorithms in the past three decades, such as integral-direct methods, fast multipole methods, the resolution-of-the-identity approximation, imaginary frequency integration, Laplace transform, and pair natural orbital methods. This review focuses on recent additions to TURBOMOLE’s functionality, including excited-state methods, RPA and Green’s function methods, relativistic approaches, high-order molecular properties, solvation effects, and periodic systems. A variety of illustrative applications along with accuracy and timing data are discussed. Moreover, available interfaces to users as well as other software are summarized. TURBOMOLE’s current licensing, distribution, and support model are discussed, and an overview of TURBOMOLE’s development workflow is provided. Challenges such as communication and outreach, software infrastructure, and funding are highlighted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Forte: A suite of advanced multireference quantum chemistry methods

Software development plays a critical role in advancing quantum chemistry, enabling the exploration of new fundamental theoretical ideas and modeling systems of ever-increasing complexity. In the past decade, the availability of quantum chemistry packages that use modular designs and provide application programming interfaces (APIs) has enabled the creation of specialized software plugins, enhancing the capabilities of the original codes. Here, the availability of well-documented APIs is particularly beneficial in the context of academic scientific software development because it reduces the entry barrier for new developers and shields them from the complexities of large software projects.

74 ATOMIC AND MOLECULAR PHYSICS↗