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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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36 records · Page 2

Cyber-Physical System: Design for Sustainability and Resilience

When considering the design tools needed in the transition from numeric models to pilot plant, cyber-physical systems (CPS) come to the forefront as a method to model complex integrated energy systems. CPS approach has proven to be valuable to identify opportunities for economically viable early adoption of integrated energy technologies. This tutorial will introduce the concepts and the roles of CPS in co-design to minimize risks for pilot plant and technology deployment. This tutorial will also layout basic requirements for the CPS development, which requires a highly interdisciplinary effort with expertise in sensors, hardware testing, real-time modeling, controls, and system integration.

Harun, Nor Farida

Quantum simulation of boson-related Hamiltonians: techniques, effective Hamiltonian construction, and error analysis

Elementary quantum mechanics proposes that a closed physical system consistently evolves in a reversible manner. However, control and readout necessitate the coupling of the quantum system to the external environment, subjecting it to relaxation and decoherence. Consequently, system-environment interactions are indispensable for simulating physically significant theories. A broad spectrum of physical systems in condensed-matter and high-energy physics, vibrational spectroscopy, and circuit and cavity QED necessitates the incorporation of bosonic degrees of freedom, such as phonons, photons, and gluons, into optimized fermion algorithms for near-future quantum simulations. In particular, when a quantum system is surrounded by an external environment, its basic physics can usually be simplified to a spin or fermionic system interacting with bosonic modes. Nevertheless, troublesome factors such as the magnitude of the bosonic degrees of freedom typically complicate the direct quantum simulation of these interacting models, necessitating the consideration of a comprehensive plan. This strategy should specifically include a suitable fermion/boson-to-qubit mapping scheme to encode sufficiently large yet manageable bosonic modes, and a method for truncating and/or downfolding the Hamiltonian to the defined subspace for performing an approximate but highly accurate simulation, guided by rigorous error analysis. In this pedagogical tutorial review, we aim to provide such an exhaustive strategy, focusing on encoding and simulating certain bosonic-related model Hamiltonians, inclusive of their static properties and time evolutions. Specifically, we emphasize two aspects: (1) the discussion of recently developed quantum algorithms for these interacting models and the construction of effective Hamiltonians, and (2) a detailed analysis regarding a tightened error bound for truncating the bosonic modes for a class of fermion-boson interacting Hamiltonians.

bosonic Hamiltonian

Waveform Simulation Framework: User Manual with Tutorials

This manuscript describes the Waveform Simulation Framework (WSF), a Python-based framework that provides a unified, programmable interface for generating synthetic seismograms for applications such as seismic array design, method development, and special event analysis. WSF standardizes how users define sources, receivers, and velocity models while abstracting simulator-specific configuration details, enabling workflows that are largely independent of the underlying numerical engine. The document provides installation guidance and tutorial-driven examples for three WSF simulator wrappers—WSF PyFK, WSF SW4, and WSF SPECFEM2D—illustrating end-to-end workflows from forward waveform simulation to common post-processing tasks (e.g., visualization and backprojection) using consistent data products (e.g., ObsPy Stream objects and SAC files).

97 MATHEMATICS AND COMPUTING

PrOMMiS Tutorial

This is a tutorial on using parameter estimation and process optimization in PrOMMiS. The tutorials are publicly available in the GitHub repository. The presentation attached guides through the flow of the three different tutorials. The tutorials are presented as follows: i) Parameter estimation of oxalate precipitation, ii) Optimization of precipitation model, and iii) Optimization of full process.

critical minerals and materials

Optimizing Repowering and Lifecycle Decisions with PV ICE and SAM

Should you repower or extend the life of your PV system? Are high-efficiency modules, durable modules, or recyclable modules the best option for your site and goals? Evaluating the trade-offs in design and lifecycle strategies can be complex. The PV in Circular Economy (PV ICE) tool is an open-source model designed to help developers, modelers, and decision-makers assess material flows, energy return on investment (EROI), and financial viability of PV systems. Now integrated with the System Advisor Model (SAM), PV ICE enables site-specific comparisons of lifecycle strategies - such as repowering benefits, module selection for reliability and recyclability, among others. This interactive tutorial will provide hands-on experience with PV ICE using Google Collab, exploring scenario-based analyses on these topics.

36 MATERIALS SCIENCE

Siting Lab [SWR-24-95]

Siting Lab contains a collection of user-friendly tutorials and guides for working with the Siting Lab (https://data.openei.org/siting_lab) data within the context of the reV model. The python code examples demonstrate the creation and transformation of Siting Lab data into reV compliant format as well as working with the reV model inputs and outputs. Specifically, Siting Lab provides a collection of Jupyter Notebooks that serve as guides for working with data from NREL's spatial analysis portfolio. These notebooks teach users how to create and interact with reV data in order to facilitate external use of the model. The guides in this repository reference NREL's Supply Curve data as well as Siting Lab spatial data available on OEDI.

Lopez, Anthony

Practical Introduction to Benchmarking and Characterization of Quantum Computers

Rapid progress in quantum technology has transformed quantum computing and quantum information science from theoretical possibilities into tangible engineering challenges. Breakthroughs in quantum algorithms, quantum simulations, and quantum error correction are bringing useful quantum computation closer to fruition. These remarkable achievements have been facilitated by advances in quantum characterization, verification, and validation (QCVV). QCVV methods and protocols enable scientists and engineers to scrutinize, understand, and enhance the performance of quantum information-processing devices. In this tutorial, we review the fundamental principles underpinning QCVV, and introduce a diverse array of QCVV tools used by quantum researchers. We define and explain QCVV’s core models and concepts—quantum states, measurements, and processes—and illustrate how these building blocks are leveraged to examine a target system or operation. We survey and introduce protocols ranging from simple qubit characterization to advanced benchmarking methods. Along the way, we provide illustrated examples and detailed descriptions of the protocols, highlight the advantages and disadvantages of each, and discuss their potential scalability to future large-scale quantum computers. This tutorial serves as a guidebook for researchers unfamiliar with the benchmarking and characterization of quantum computers, and also as a detailed reference for experienced practitioners.

open quantum systems & decoherence

BoBa

BoBa is a C++ software library for working with large matrices, tensors, and tensor decompositions. The library provides tools for dense matrix and tensor operations, tensor decompositions, and tensor decomposition methods that support modern CPU and GPU architectures. It includes portable abstractions for linear algebra, tensor algebra, and multidimensional computation. BoBa is intended for scientific computing applications that involve large multidimensional data sets or high dimensional mathematical models. Its capabilities support tasks such as data compression, linear algebra, efficient numerical computation, and the development of scalable algorithms for heterogeneous hardware. Tutorials, tests, and example applications are included to help users learn and apply the library.

Yao, Jin [Lawrence Livermore National Laboratory (

Using FIPD and OPTD to Benchmark Metallic Fuel Performance

This report serves as an introduction, tutorial, and benchmark specification for out-of-pile tests on metallic fuel. It introduces a new user to the EBR-II legacy fuel performance test program and the fast reactor fuel performance databases built to preserve the records. It then details the information stored in each database and how to find it. A benchmark specification is included for a small set of out-of-pile tests on U-10Zr fuel to function as a tutorial demonstrating how the legacy fuel performance data sets stored in the FIPD and OPTD databases can be used together to benchmark fuel performance models for steady-state and transient performance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS

Safe Physics-Informed Machine Learning for Dynamics and Control

This tutorial paper focuses on safe physics-informed machine learning in the context of dynamics and control, providing a comprehensive overview of how to integrate physical models and safety guarantees. As machine learning techniques enhance the modeling and control of complex dynamical systems, ensuring safety and stability remains a critical challenge, especially in safety-critical applications like autonomous vehicles, robotics, medical decision-making, and energy systems. We explore various approaches for embedding and ensuring safety constraints, including structural priors, Lyapunov and Control Barrier Functions, predictive control, projections, and robust optimization techniques. Additionally, we delve into methods for uncertainty quantification and safety verification, including reachability analysis and neural network verification tools, which help validate that control policies remain within safe operating bounds even in uncertain environments. The paper includes illustrative examples demonstrating the implementation aspects of safe learning frameworks that combine the strengths of data-driven approaches with the rigor of physical principles, offering a path toward the safe control of complex dynamical systems.

Drgona, Jan

Even Higher-Level Synthesis: An Exploration of AI Hardware Accelerators using HLS4ML

With the rise of artificial intelligence, the popularization of deep learning, and a constantly evolving industry, the demand for flexible and efficient tools has never been greater. As algorithms grow more complex, their runtime and energy consumption increase exponentially. Customized hardware accelerators, long used for specific mathematical operations, remain essential for managing modern applications' computational and power demands. Hardware accelerators can speed up complex computations by orders of magnitude, but their manual design and verification processes are often challenging and time-consuming. High-Level Synthesis (HLS) provides a solution by transforming high-level algorithm descriptions, typically written in C++ or SystemC, into synthesizable RTL suitable for hardware implementation. This approach reduces development time for RTL engineers while offering flexibility beyond what traditional handwritten RTL can provide. We extended this capability to the machine-learning domain with the open-source framework hls4ml, which allows neural networks trained in Python frameworks like Tensorflow or PyTorch to be synthesized into efficient hardware representations for the traditional FPGA and ASIC flows. This breakthrough addresses the growing need for reduced design turnaround and easy verification of ML hardware accelerators with low latency and power efficiency constraints. During this tutorial, we will demonstrate how Python complements HLS by simplifying the ML design process, bridging the gap between software and hardware development. Attendees will explore how we translate neural networks modeled in Python into fixed-point C++ models suitable for HLS workflows. We will dive into strategies like Value-Range Analysis and Quantization-Aware Training, which optimize these designs for deployment and evaluate their accuracy, power consumption, and energy efficiency. To exemplify these concepts, experts from Fermilab will share their experiences applying this technology to high-energy physics experiments, where real-time, low-latency processing is critical. Over the years, Fermilab engineers have demonstrated how deep neural networks, optimized for hardware using hls4ml, can meet the stringent requirements of trigger systems at the CERN Large Hadron Collider. These systems rely on rapid decision-making to process immense data volumes while retaining only the most relevant events for further analysis. The application of hls4ml has also been extended to innovative technologies like smart pixel arrays. These smart pixels integrate ML inference capabilities directly into sensor devices, enabling localized data processing at the pixel level. This approach drastically reduces the need to transmit raw data to external processing units, significantly decreasing power consumption and latency. By embedding neural networks within the pixel architecture, the smart pixels can identify and prioritize relevant data in real time, providing a highly efficient solution for edge computing in scenarios such as particle detectors and imaging systems. Fermilab's work highlights the potential of hardware-accelerated ML in scenarios where both speed and power efficiency are mission-critical. Through this tutorial, attendees will gain valuable insights into the challenges and solutions of deploying ML in hardware. Understanding how HLS and hls4ml streamline the development of neural network-based hardware accelerators is fundamental for the industry's future. Participants will learn how these technologies are shaping the future of AI and scientific computing.

Di Guglielmo, Giuseppe [Fermilab]

Towards Next-Generation Urban Decision Support Systems through AI-Powered Construction of Scientific Ontology Using Large Language Models—A Case in Optimizing Intermodal Freight Transportation

The incorporation of Artificial Intelligence (AI) models into various optimization systems is on the rise. However, addressing complex urban and environmental management challenges often demands deep expertise in domain science and informatics. This expertise is essential for deriving data and simulation-driven insights that support informed decision-making. In this context, we investigate the potential of leveraging the pre-trained Large Language Models (LLMs) to create knowledge representations for supporting operations research. By adopting ChatGPT-4 API as the reasoning core, we outline an applied workflow that encompasses natural language processing, Methontology-based prompt tuning, and Generative Pre-trained Transformer (GPT), to automate the construction of scenario-based ontologies using existing research articles and technical manuals of urban datasets and simulations. From these ontologies, knowledge graphs can be derived using widely adopted formats and protocols, guiding various tasks towards data-informed decision support. The performance of our methodology is evaluated through a comparative analysis that contrasts our AI-generated ontology with the widely recognized pizza ontology, commonly used in tutorials for popular ontology software. We conclude with a real-world case study on optimizing the complex system of multi-modal freight transportation. Our approach advances urban decision support systems by enhancing data and metadata modeling, improving data integration and simulation coupling, and guiding the development of decision support strategies and essential software components.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION

Deep Reinforcement Learning for Distribution System Operations: A Tutorial and Survey

Here, the rapid evolution of modern electric power distribution systems into complex networks of interconnected active devices, distributed generation (DG), and storage poses increasing difficulties for system operators. The large-scale integration of distributed energy resources (DERs) and the rapid exchange of measurement data via communication networks present major opportunities for advancing grid operations but also introduce greater uncertainty, higher data dimensionality, more complex network and device models, and challenging control and optimization problems. Deep reinforcement learning (DRL) algorithms are promising in addressing these challenges. However, they have not been effectively adapted for power systems applications, requiring extensive customization for implementation and evaluation. This has resulted in reproducibility challenges and a steep learning curve for researchers new to applying DRL algorithms to the power systems domain. To bridge these gaps, this tutorial aims to serve as a valuable resource for researchers interested in exploring learning-based algorithms to operate active power distribution networks. Specifically, this work presents a generalized process for translating sequential decision-making problems in power distribution systems into Markov decision process (MDP) formulations, illustrated through concrete grid service examples. Additionally, we introduce a simple environment design strategy to develop and evaluate example DRL algorithms for distribution system applications, complete with an included code repository to guide users through environment construction.

24 POWER TRANSMISSION AND DISTRIBUTION

X-ray spectroscopy of multi-temperature plasmas using the differential emission measure formalism

We present a theoretical construct that nominally underlies spectroscopic data analysis of multi-temperature plasmas, known as the differential emission measure (DEM). From a data analytic perspective, the DEM formalism is used to derive temperature distributions from line spectra that are formed in the presence of temperature gradients and by time integrations of evolving plasmas. From a modeling perspective, DEMs are convenient intermediaries between radiation hydrodynamics simulations and spectroscopic measurements acquired in the laboratory. The DEM concept and its associated methodologies were originally developed by spectroscopists working with astrophysical data. We borrow from these earlier investigations. In this manuscript, intended primarily as a tutorial, we discuss the basic concepts, but also augment various aspects of the theory by the way of extension and example, including a detailed treatment of various weighting and averaging schemes, intended to mitigate ambiguities that often arise when reporting temperature information. We focus on high-temperature plasmas that are not in local thermodynamic equilibrium and the x-ray spectra that they produce, although the core ideas presented here are applicable to spectroscopy in other energy bands. A few examples involving the derivation and manipulation of model DEMs in simple geometries are provided.

Liedahl, Duane A. [Lawrence Livermore National Lab

OCHRE User Tutorial

OCHRE user tutorial via a browser extension.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Enabling the broader adoption of fusion simulation on complex geometry

This project addressed a key barrier to advanced fusion and nuclear simulation: the difficulty of performing high-fidelity Monte Carlo neutronics directly on complex, real-world CAD geometry. Traditional workflows require engineers to rebuild CAD models as simplified constructive solid geometry, a time-consuming and error-prone process that limits design iteration and broader adoption of simulation tools. The goal of this Phase I SBIR was to make CAD-based neutronics practical, accessible, and robust for industrial and research users. During the project, Coreform significantly enhanced the Direct Accelerated Geometry Monte Carlo (DAGMC) workflow and fully integrated it into Coreform Cubit as a first-class capability. Major achievements include optimized material assignment and surface meshing workflows, substantial performance improvements to geometry imprinting and preparation, native export of DAGMC models, and new visualization tools to support OpenMC source definition and lost-particle debugging. Coreform also expanded Cubit’s capabilities as a full OpenMC preprocessor, including the ability to convert OpenMC constructive solid geometry models back into CAD for visualization, multiphysics coupling, and debugging. In collaboration with Argonne National Laboratory, the project delivered comprehensive new DAGMC documentation and training materials, transforming DAGMC from a research-oriented tool into a production-ready workflow. Results were disseminated through tutorials, conference training, and multiple well-attended webinars demonstrating integrated CAD-based neutronics and multiphysics workflows. Overall, this project demonstrated that high-fidelity Monte Carlo simulations can be performed directly on complex CAD geometry, reducing setup time, improving usability, and enabling faster, more informed design decisions for fusion and nuclear energy systems.

42 ENGINEERING

Optimal experimental design using eigenvalue-based criteria with Pyomo.DoE

New developments in automated optimal experimental design within the PSE+ software ecosystem. Advancements in user experience (to reduce the time taken to perform optimal experiment design) and computational capabilities (allowing more diverse experimental design) are shown with an example relevant to critical minerals and materials. Also, a small tutorial on science-based optimal experimental design and novel contributions therein are presented.

97 MATHEMATICS AND COMPUTING

Osprey Framework v0.2.2

The Alpha Berkeley Framework is a software architecture for building agentic AI systems that coordinate multi-step workflows in scientific and industrial environments. It is based on a plan-first orchestration model, where natural language requests are translated into execution plans with explicit dependencies and optional human approval. The framework includes capability classification, which selects relevant tools on a per-task basis to keep orchestration efficient as the number of available tools grows. It incorporates task extraction methods that compress conversational context and integrate external resources such as databases, APIs, and knowledge bases into structured, machine-readable tasks. Execution is supported by modular services with checkpointing, artifact management, and error handling, allowing workflows to be paused, inspected, and resumed. The system is designed for deployment in production environments, supporting both local and containerized execution as well as integration with HPC clusters. Interfaces include command-line tools, browser-based workflows, and containerized services. The framework has been demonstrated in tutorial examples and deployed at the Advanced Light Source, where it coordinates accelerator control and analysis workflows.

Hellert, Thorsten [Lawrence Berkeley National Labo