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All sources NASA NTRS DOE OSTI

DOE OSTI2025

Passband Signal Detection at the Edge

Algorithms for radio frequency (RF) spectrum awareness need to be compatible with edge hardware to be practical for many applications. We developed a signal detection and classification model for the ZCU111 RF System-on-a-Chip (RFSoC) that operates on the fast Fourier transform of passband RF data. The system can detect and classify multiple signals of interest and display the predictions in real-time. The model consists of a modified ConvNeXt backbone and YOLOv3 head to operate on the Deep Learning Processing Unit on the RFSoC. We gathered datasets for training and testing by using a software defined radio to transmit example signals of Wi-Fi 802.11 b/g, Wi-Fi 802.11 n, FM Radio, LTE and LTE-M. By leveraging multiple inputs on the RFSoC frontend, the datasets span up to 4 GHz of bandwidth. The models showed high performance in classification accuracy, center frequency error, bandwidth error, and detection accuracy for both single and multi-signal datasets.

42 ENGINEERING↗

DOE OSTI2026

Resilience Through Data-Driven, Intelligent Designed Control: A Formal Methods Approach

The PNNL and GTRI team developed a strategy to integrate temporal logic rule specification for detection of cyber-intrusion in the source code and control algorithms of CPS using advanced cyber-data. The GTRI team utilized its capabilities in rule synthesis and temporal logic specifications for software assurance and verification to detect and predict impact of cyber-intrusions and malware in the computational and control algorithms of cyber-physical systems. The team also developed a testing and verification approach that could be used to validate the suggested approach against a realistic use-case CPS showcasing improvements in system impact prediction performance. Temporal logic offers a compact expression of events in absolute and relative time and has a formalized translation to state machines. As such, temporal logic rules can feasibly be synthesized to any system as a rule engine, with the process being formally verified to be correct. The goal here is to utilize temporal logic rules to detect cyber-attacks and manipulations in the computational algorithms and provide real-time software assurance and verification guarantees.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Modular Subsurface Sensors and Integrated Software for Advanced Subsurface Characterization and Monitoring using Unoccupied Vehicles

The advent and subsequent proliferation of autonomous airborne, waterborne, and groundbased vehicles (i.e., “drones”) promises to broadly transform the geosciences and associated industries, including fossil energy exploration and development, mineral resource exploration and development, water-resource management, and environmental remediation. For geophysical characterization and monitoring, the prospect of programming highly repeatable and low-cost drone missions for subsurface imaging will allow for deployments in hazardous and previously inaccessible areas. Coupled with autonomous workflows for data processing, management, and visualization, drone-based geophysical characterization and monitoring will enable unprecedented, real-time insight into diverse subsurface properties and processes of scientific and engineering importance. Toward this end, the objectives of this Lab Directed Research and Development (LDRD) project were to develop new (1) instrumentation for dronebased electromagnetic induction (EMI) geophysical imaging, including separated transmitter and receivers and associated electronics, (2) software for real-time data telemetry, processing, management, and visualization. Although EMI has been previously deployed using unoccupied aerial systems (UASs), these applications failed to capitalize on the game-changing capabilities of drone platforms. Whereas drone-based data acquisition allows for collection of rich, three-dimensional (3D) multi-offset/multi-angle configurations between transmitters and receivers, past efforts have relied on conventional instrumentation that was designed for ground-based data collection with the transmitter and a single receiver housed in the same unit; nor did these previous applications demonstrate real-time delivery of results to support rapid management decisions in the field. In this 1-year project, we (1) designed and constructed new lightweight independent transmitter and receiver antenna platforms that communicate with a laptop computer; (2) developed software to control data acquisition, manage/transfer data, and visualize data as its collected; and (3) demonstrated the operation of the new hardware and software systems in a ground-based field test. Our work entails major technological advances for EMI and established a foundation on which to build a new drone-based, real-time geophysical EMI imaging capability to support diverse challenges facing the nation.

47 OTHER INSTRUMENTATION↗

DOE OSTI2026

MFC 5.0: An exascale many-physics flow solver

Many problems of interest in engineering, medicine, and the fundamental sciences rely on high-fidelity flow simulation, making performant computational fluid dynamics solvers a mainstay of the open-source software community. Previous work MFC 3.0 was made a published, documented, and open-source solver via Bryngelson et al. Comp. Phys. Comm. (2021) with numerous physical features, numerical methods, and scalable infrastructure. MFC 5.0 is a significant update to MFC 3.0, featuring a broad set of well-established and novel physical models and numerical methods, as well as the introduction of GPU and APU (or superchip) acceleration. Here, we exhibit state-of-the-art performance and ideal scaling on the first two exascale supercomputers, OLCF Frontier and LLNL El Capitan. Combined with MFC’s single-accelerator performance, MFC achieves exascale computation in practice, and achieved the largest-to-date public CFD simulation at 200 trillion grid points as a 2025 ACM Gordon Bell Prize finalist. New physical features include the immersed boundary method, N-fluid phase change, Euler–Euler and Euler–Lagrange sub-grid bubble models, fluid-structure interaction, hypo- and hyper-elastic materials, chemically reacting flow, two-material surface tension, magnetohydrodynamics (MHD), and more. Numerical techniques now represent the current state-of-the-art, including general relaxation characteristic boundary conditions, WENO variants, Strang splitting for stiff sub-grid flow features, and low Mach number treatments. Weak scaling to tens of thousands of GPUs on OLCF Summit and Frontier and LLNL El Capitan achieves efficiencies within 5% of ideal to over 90% of their respective system sizes. Strong scaling results for a 16-times increase in device count show parallel efficiencies over 90% on OLCF Frontier. MFC’s software stack has undergone further improvements, including continuous integration, which ensures code resilience and correctness through over 300 regression tests; metaprogramming, which reduces code length while maintaining performance portability; and code generation for computing chemical reactions

Computational fluid dynamics↗

DOE OSTI2024

Spiking Markov Reward Process v.0.1

SAND2024-11150O The Spiking Markov Reward Process software is a spiking neural network that streams binary arithmetic and computes the state value function of a Markov reward process. The software will be released to the SpiNNcloud group for development of neuromorphic acceleration. 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.

Wang, Felix↗

DOE OSTI2025

Hydrogen Diffusion Through Stainless Steel

SAND2025-14430O Hydrogen Diffusion Through Stainless Steel is a tool that employs a finite difference method algorithm to solve Fick's law and other mass transport models pertinent to the diffusion of hydrogen through stainless steel. Additionally, the software uses particle swarm optimization to determine physical parameters based on experimental data. 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.

Mason, Tyler [Sandia National Lab. (SNL-CA), Liver↗

DOE OSTI2026

EFBMC

SAND2026-23986O EFBMC performs elastic Bayesian model calibration by applying Bayesian statistics and functional analysis. The software provides Python, R, and MATLAB scripts that enable users to calibrate models. 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.

Tucker, J. Derek [Sandia National Lab. (SNL-CA), L↗

DOE OSTI2024

NEML2: A High Performance Library for Constitutive Modeling

NEML2, the New Engineering Material model Library, version 2, is an offshoot of NEML, an earlier material modeling code developed at Argonne National Laboratory. NEML2 extends the key philosophy of its predecessor, i.e., material models are flexible, modular, and can be built from smaller blocks. It also provides modern features that do not exist in the framework of its predecessor such as material model vectorization, automatic differentiation, device-portable just-in-time compilation, operator fusion, lazy tensor evaluation, etc. Moreover, NEML2 can seamlessly integrate with the popular machine learning package PyTorch to take advantage of modern and fast-growing machine learning techniques. In this fiscal year, the development of core library features and capabilities are complete. The purpose of this report is not to serve as a verbatim copy of the software API reference (which is available online at https://reverendbedford.github.io/neml2/). Instead, this report documents the motivation, implementation, design choices, and usage of each core capability as well as their applications in solving practical engineering problems. This report is compiled based on the NEML2 major release 2.0.0.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Heating Ventilation Air-Conditioning (HVAC) System Analysis and Optimization for Revit with the OpenStudio Analytical Framework (CRADA Final Report)

This project proposes to integrate the NREL-developed OpenStudio (OS) and its accompanying Analytical Framework (OSAF) into Autodesk’s (ADSK’s) market leading suite of building information modeling (BIM) tools. As a result, BIM users will gain access to advanced (but user-friendly) building energy modeling (BEM), calibration, and design optimization capabilities. Following integration, the BIM software will automatically generate a consistent OS-based BEM model, allowing users to develop projects in an integrated manner, moving back and forth between architectural and engineering perspectives without redundancy or data loss, saving time and effort.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Binder-benchmarking

SAND2025-07593O Binder-benchmarking evaluates the speed and memory impacts of C++, Python, and Matlab code binders. As a repository, it provides a way to locally run computation-based and memory-based benchmark suites on pybind11 and nanobind-based code in a Docker image. The software runs simple-speed and memory benchmarks on primitive navigation and integration exemplar algorithms. 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.

Walker II, Michael [Sandia National Lab. (SNL-CA),↗

DOE OSTI2024

Technical Learning and Integration of Interns in Advanced Protection Lab Space: Enhancements to Testbed and Experiments to Improve Workflows for Producing Datasets

This report presents a successful technical learning integration of student interns in the Advanced Protection Laboratory space, located in the Grid Research Integration and Deployment Center (GRID-C) at the Department of Energy’s (DOE’s) Oak Ridge National Laboratory (ORNL). The Advanced Protection Laboratory was created for the primary goal of supporting DOE’s research projects and technical staff at ORNL. As a secondary goal, the space was used for collaborating with ORNL’s intern programs, providing support to the lab’s mentors and student interns. In 2024, three student interns spent a summer in the Advanced Protection lab space and were involved in the DarkNet Distributed Ledger Technology (DLT) project. The students had a great opportunity to gain hands-on experience with communication and protective relay equipment focused on information technology, data analytics, and cybersecurity. Experiences in the lab space with real equipment and software integration offer education and professional development for students, which is especially important because of a need in the energy industry to recruit highly skilled power and communication engineers.

42 ENGINEERING↗

DOE OSTI2025

Nanopolysaccharide Builder: A User-Friendly Tool for Atomistic Models of Polysaccharide-Based Nanostructures

Here, we introduce Nanopolysaccharide Builder (NPB), a user-friendly software tool designed to construct polysaccharide nanostructures─mainly those based on cellulose, chitin, and chitosan─using experimental data or user-defined parameters. NPB enables the generation of cellulose and chitin allomorphs with customizable biochemical topologies and also facilitates the construction of large bundles that replicate nanostructures found in biological support systems, including plant cell walls and arthropod cuticles. The software outputs atomic Cartesian coordinates in Protein Data Bank (PDB) format and also provides atom connectivity files in PSF and PARM formats, ensuring seamless integration with major molecular dynamics (MD) engines such as NAMD, CHARMM, GROMACS, AMBER, OpenMM, and LAMMPS. Built on an interactive visualization framework, NPB features a graphical user interface (GUI) and supports both macOS and Linux operating systems. By enabling detailed atomic-scale studies of polysaccharide evolution in extracellular matrices and cell walls of algae, bacteria, fungi, and plants, NPB is poised to advance AI-guided research in sustainable chemical development and biomass utilization.

Wan, Zhangmin [Univ. of British Columbia, Vancouve↗

DOE OSTI2024

Probabilistic Grid Reliability Analysis with Energy Storage Systems

SAND2025-12025O The Probabilistic Grid Reliability Analysis with Energy Storage Systems (ProGRESS) software tool is an open-source tool for assessing the resource adequacy of the evolving electric power grid integrated with energy storage systems (ESS). This tool uses a simulation engine to create diverse scenarios that test the limits of the modern power grid consisting of a high-volume ESS and variable energy resources (VER). 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.

Nguyen, Tu↗

DOE OSTI2024

High Throughput Genome Releaser

In this study, we present the development of a High Throughput Genome Releaser, an innovative device addressing common challenges in screening PCR. This genome DNA releaser is designed for rapid, cost-effective, and efficient DNA extraction, optimized for subsequent PCR reactions. Our experimentation with various synthetic materials led us to select a particular type of plastic that mirrors the properties of glass cover slides, providing a smooth surface and effective compression capabilities. We engineered a 96-well device equipped with a 96-well plate and a top rod, operable both manually and automatically, which is compatible with widely used liquid-handling robot decks. This compatibility enhances ease of use in high-throughput PCR setups. Additionally, we developed software to support its automatic functions. The genome releaser facilitates the extraction of PCR-amplifiable genomic DNA from 96 samples within minutes, eliminates the need for extraction buffers, and is adaptable to a wide range of microorganisms and cells. This versatility could significantly advance biomanufacturing processes.

42 ENGINEERING↗

DOE OSTI2024

Mnemosyne

SAND2024-08570O Mnemosyne is an interactive tool for finding, retrieving, and exploring information about U.S. nuclear tests documented in the National Nuclear Security Administration’s NV-209 report. It also acts as an information architecture and codebase for integrating additional information and computational tools related to these tests at the unclassified and classified levels. Users can search by any number of nuclear test attributes—name, yield range, altitude ranges, purpose of a test—and find all matching tests. Users can also retrieve specific test information published in NV-209. The tool displays geospatial and topological data about test location, and it provides an information architecture for storing additional contextual material, such as photographs. Mnemosyne provides a capability of interfacing with HYCHEM, Sandia's nuclear detonation optical waveform tool. The software is designed for use by government, academia, military, and research institutions. The software will likely be advanced to integrate seismic data and the nuclear detonation optical signal simulation code radCTH. 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.

Fisher, Dustin↗

DOE OSTI2026

Datashare

Datashare facilitates communication and data sharing within local networks in potentially dangerous situations such as an explosive ordnance disposal. During such events, there is a need to transmit information rapidly around the incident area. It is a distributed database that does not require an internet connection for operation. In addition, Datashare interfaces with XTK and other software applications, allowing for seamless integration and data management. Datashare supports video calls over the network, enabling real-time communication among users. This software serves to organize, package, and share between responders on location and export data to those off location. 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.

Eldridge, Bryce [Sandia National Lab. (SNL-CA), Li↗

DOE OSTI2024

POEM

User manual for software POEM (Platform of Optimal Experiment Management).

42 ENGINEERING↗

DOE OSTI2026

Alchemy: A Model-Based Approach for 2D to 3D Autonomous Nuclear System Design

Engineering design of nuclear power plant (NPP) piping and equipment systems frequently bypasses crucial 2D system planning, instead moving straight to 3D modeling. This often leads to designs that exceed building envelope constraints, forcing expensive and time-consuming redesigns. When 2D modeling is employed, it typically involves labor-intensive manual workflows that convert 2D drawings into 3D models, resulting in inefficiencies and errors across design iterations. These workflows further suffer from poor software interoperability and dependence on proprietary software ecosystems, thereby contributing to schedule delays and cost overruns. This paper presents Alchemy, an autonomous framework that transforms 2D system definitions into Industry Foundation Classes (IFC)-compliant 3D building information models (BIMs) for expediting nuclear facility design at the conceptual preliminary phase. Using a model-based approach, the framework treats the 2D system diagram as the central reference model employed to automatically generate all subsequent outputs, ensuring consistency between the system definition and the resulting physical design. A web-based interface enables engineers to define hierarchical system topologies including associated equipment, geometric properties, and connectivity requirements. A two-phase equipment layout optimization algorithm automatically computes collision-free spatial configurations within predefined building envelopes. An artificial intelligence (AI)-assisted pipe routing module then generates orthogonal, collision-free routing paths, allowing the user to select either an A* search-based method or an Ant Colony Optimization (ACO)-based method. All outputs are authored natively in IFC format, relying on open-source technologies and standardized formats in order to ensure extensibility and eliminate proprietary software dependencies. The proposed framework is validated on two representative pressurized-water reactor (PWR)-based case studies, for which it autonomously generates IFC-compliant 3D models in minutes, drastically reducing workflows that typically require hours of manual effort. The generated model demonstrates topologically correct equipment placement, physically plausible spatial relationships, and collision-free pipe routing consistent with known PWR loop configurations. This work represents a foundational step toward digital engineering for nuclear facility preliminary design, with future ongoing development targeting design code compliance and expanded system complexity.

97 - MATHEMATICS AND COMPUTING↗