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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 181 records · Page 10

On the Limits of EM Based Detection of Control Logic Injection Attacks In Noisy Environments

The difficulty in applying traditional security mechanisms in Industrial Control System (ICS) environments makes a large portion of these mission-critical assets vulnerable to cyber attacks. Therefore, there is a dire need for the development of novel security mechanisms specifically designed to protect such critical systems. Recently a lot of attention has been given to mechanisms that exploit the EM emanations of devices for defense purposes. Such practices may lead to the development of robust external and non-intrusive anomaly detection systems. Nevertheless, the majority of current work in the area neglects to consider the implications of real-life environments, particularly environmental noise. In this work, we explore the limits of EM-based anomaly detection towards identifying injection attacks in control logic software in noisy environments. Our study conducted upon both synthetically generated and real signals identified that indeed environmental noise might significantly degrade the accuracy of the anomaly detection process. Experiments done upon synthetic data indicated that assuming that signals are captured with high sampling rates, even minor code injections can be detected with above-90% accuracy in noisy environments where SNR is up to -2dB. This is true even if naive detection methods are considered. Moreover, experiments done using a real-life testbed attest that even single-instruction injections can be detected with near-perfect accuracy in relatively clean environments. Finally, noise-elimination techniques can drastically improve the reliability of the detection mechanism even in noisy environments.

97 MATHEMATICS AND COMPUTING↗

Methods and Experiences for Developing Abstractions for Data-intensive, Scientific Applications

Developing software for scientific applications that require the integration of diverse types of computing, instruments, and data present challenges that are distinct from commercial software. These applications require scale, and the need to integrate various programming and computational models with evolving and heterogeneous infrastructure. Pervasive and effective abstractions for distributed infrastructures are thus critical; however, the process of developing abstractions for scientific applications and infrastructures is not well understood. While theory-based approaches for system development are suited for well-defined, closed environments, they have severe limitations for designing abstractions for scientific systems and applications. The design science research (DSR) method provides the basis for designing practical systems that can handle real-world complexities at all levels. In contrast to theory-centric approaches, DSR emphasizes both practical relevance and knowledge creation by building and rigorously evaluating all artifacts. In this work, we show how DSR provides a well-defined framework for developing abstractions and middleware systems for distributed systems. Specifically, we address the critical problem of distributed resource management on heterogeneous infrastructure over a dynamic range of scales, a challenge that currently limits many scientific applications. We use the pilot-abstraction, a widely used resource management abstraction for high-performance, high throughput, big data, and streaming applications, as a case study for evaluating the DSR activities. For this purpose, we analyze the research process and artifacts produced during the design and evaluation of the pilot-abstraction. We find DSR provides a concise framework for iteratively designing and evaluating systems. Finally, we capture our experiences and formulate different lessons learned.

97 MATHEMATICS AND COMPUTING↗

Deep Learning-Based Queue-Aware Eco-Approach and Departure System for Plug-In Hybrid Electric Buses at Signalized Intersections: A Simulation Study

Eco-Approach and Departure (EAD) has been considered as a promising eco-driving strategy for vehicles traveling in an urban environment, where information such as signal phase and timing (SPaT) and geometric intersection description is well utilized to guide vehicles passing through intersections in the most energy-efficient manner. Previous studies formulated the optimal trajectory planning problem as finding the shortest path on a graphical model. While this method is effective in terms of energy saving, its computation efficiency can be further enhanced by adopting machine learning techniques. In this paper, we propose an innovative deep learning-based queue-aware eco-approach and departure (DLQ-EAD) system for a plug-in hybrid electric bus (PHEB), which is able to provide an online optimal trajectory for the vehicle considering both the downstream traffic condition (i.e. traffic lights, queues) and the vehicle powertrain efficiency. Based on optimal solutions obtained from the graph-based trajectory planning algorithm (GTPA), a deep neural network (DNN) is developed to learn the optimal vehicle speed for the next time step given its current state. It is demonstrated that the trained DNN can provide energy-efficient trajectories with high computational efficiency and high flexibility adopting to dynamic changes in the surrounding environment. To address the impact of downstream traffic, a queue prediction model is further developed using data from radars and connected vehicles (CVs), as well as signal timing data from SPaT messages. A comprehensive simulation study in the microscopic traffic modeling software PTV VISSIM shows that the proposed DLQ-EAD can achieve 18.7%-24.0% energy efficiency improvements for a single PHEB on various traffic congestion levels. The proposed queue prediction model can be of practical significance even at low penetration rates of CVs. Specifically, additional energy savings of 2.0%-8.2% can be further achieved with 20% vehicles in the network.

Ye, Fei↗

Towards Software Bill of Materials in the Nuclear Industry

Large, modern industrial facilities often incorporate thousands of digital assets in their operational technology. Regulated facilities, such as nuclear power plants (NPPs), maintain robust cybersecurity and configuration management programs that often use bills of materials (BOMs) for these assets, including make, model, and version of hardware, firmware, and software. However, these BOMs typically capture only first- or second-tier information provided by the original equipment manufacturer (OEM). Unfortunately, as indicated by the increasing number and sophistication of software supply chain attacks, this level of detail is insufficient for identifying all the potential vulnerabilities and risks in software applications. Software BOMs (SBOMs) provide detailed enumeration of components and dependencies within the product or devices, including firmware. SBOMs can be combined with vulnerability data sources and vendor vulnerability attestations to improve vulnerability management and enable rapid identification of affected components when new software vulnerabilities are discovered. Ideally, SBOMs are created by the OEM prior to installation. However, since this practice is not yet commonplace and since NPPs are typically slow to adopt new technology, most NPPs do not incorporate SBOMs into their asset or configuration management programs. Fortunately, SBOMs can be generated by NPPs on existing digital assets to provide further insight into risk management decisions. This report provides an overview of the current SBOM ecosystem and recommends guidance on how to get started in a “crawl, walk, run” manner to develop and implement a sustainable SBOM program for digital assets in an NPP.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Increased Reliability for Near-Term Quantum Computers via Low-Level Control (CRADA Final Report)

This project helped narrow the gap between near-term hardware and practical applications of quantum computing through the development and implementation of optimized compilation and error mitigation techniques. These advances were enabled by low-level control available on the Advanced Quantum Testbed, and led to methods that characterized and improved the platform’s performance on quantum algorithms. Results of this work were published in the scientific literature and used to inform internal software development of partner Super.tech.

97 MATHEMATICS AND COMPUTING↗

pnnl/BIM2RDF

This software tool automatically creates the semantic model that building system applications need by leveraging data that exists in existing practice building design tools.

alDosari, Majid [Pacific Northwest National Labora↗

Reproducibility in materials informatics: lessons from ‘A general-purpose machine learning framework for predicting properties of inorganic materials’

The integration of machine learning techniques in materials discovery has become prominent in materials science research and has been accompanied by an increasing trend towards open data and open-source tools to propel the field. Despite the increasing usefulness and capabilities of these tools, developers neglecting to follow reproducible practices presents a significant barrier for other researchers looking to use or build upon their work. In this study, we investigate the challenges encountered while attempting to reproduce a section of the results presented in “A general-purpose machine learning framework for predicting properties of inorganic materials.” Our analysis identifies four major categories of challenges: (1) reporting software dependencies, (2) recording and sharing version logs, (3) sequential code organization, and (4) clarifying code references within the manuscript. The result is a proposed set of tangible action items for those aiming to make material informatics tools accessible to, and useful for the community.

36 MATERIALS SCIENCE↗

Smart Building Start (SBS) (CRADA 480)

The idea of Smart Building Start (SBS) is to manage the on/off scheduling of HVAC equipment in buildings in an optimal way in order to achieve comfort conditions at the designated times with the minimal use of energy. This concept is also known as Optimal Start and it has typically been used in buildings to start up equipment based on predictions made for a representative (or average) zone in a building. This means that zones that could have waited longer to receive conditioned air are activated too early leading to unnecessary energy loss. The approach proposed in this project is to develop and implement a distributed version of optimal start that will consider the individual requirements of all treated zones. The developed control strategy will enable smart start of the central plant as well as further localized control over each individual zone by means of setpoint adjustment so that zones are not conditioned too early thereby reducing energy use compared to the current state of the art. This project is a collaboration between PNNL and Verdicity with the goal being to bring the research concept of SBS to commercialization. The SBS algorithm(s) will be implemented and hosted on the PNNL-developed open-platform VOLTTRON which will accelerate bringing the research to practice. It is anticipated that this project will lead to new IP surrounding the algorithm and its decentralized deployment. The project will also further demonstrate the success of VOLTRON as a flexible platform for implementation of innovative algorithms for improving energy efficiency in buildings. Previous studies on smart building start carried out by PNNL have indicated potential energy savings on the order of 10-15% for multi-zone buildings compared to conventional strategies. Verdicity currently has a number of customers who can benefit from the use of this technology. PNNL will work with Verdicity to identify any key gaps in the integrated software and jointly work to enhance and customize it for Verdicity and to integrate it with their existing products for use at their customers’ sites. The proposed work will help previously funded Federal research and development technology investments find their way into a viable commercial market.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

ADEPT: A Pedagogical Framework for Integrating Agentic AI with Deterministic Scientific Workflows

The integration of Large Language Models (LLMs) into scientific research promises to accelerate discovery, yet a significant gap remains between the dynamic reasoning of Artificial Intelligence (AI) agents and the static, deterministic nature of canonical scientific workflows. This paper introduces ADEPT (Agentic Discovery and Exploration Platform for Tools), a reference architecture and pedagogical framework explicitly designed to bridge this gap. ADEPT's primary mission is to provide a transparent, "glass-box" environment where researchers and engineers can learn to effectively wrap established scientific software (e.g., BLAST, Nextflow pipelines) and compose it into reliable, agent-driven workflows. We describe its modular, multi-server architecture, which leverages the Model Context Protocol (MCP) for tool serving, LangGraph for robust agentic orchestration, and a secure nsjail-based sandbox for safe code execution. By prioritizing architectural clarity, safety, and modularity, ADEPT serves as an extensible blueprint for building trustworthy AI-augmented systems and fosters the collaborative development necessary to responsibly employ agentic AI for science. We provide practical examples of how to adapt and extend this framework, highlighting its utility in workforce development and AI-readiness capabilities across research and development projects.

97 MATHEMATICS AND COMPUTING↗

Ontology Development Kit: a toolkit for building, maintaining and standardizing biomedical ontologies

Similar to managing software packages, managing the ontology life cycle involves multiple complex workflows such as preparing releases, continuous quality control checking and dependency management. To manage these processes, a diverse set of tools is required, from command-line utilities to powerful ontology-engineering environmentsr. Particularly in the biomedical domain, which has developed a set of highly diverse yet inter-dependent ontologies, standardizing release practices and metadata and establishing shared quality standards are crucial to enable interoperability. The Ontology Development Kit (ODK) provides a set of standardized, customizable and automatically executable workflows, and packages all required tooling in a single Docker image. In this paper, we provide an overview of how the ODK works, show how it is used in practice and describe how we envision it driving standardization efforts in our community.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Grid-forming Control of Single- and Two-Stage Solar PV Systems with Mode Transition

Legacy power systems once dominated by con-ventional synchronous machines are transitioning into systems driven by fast-acting power-electronic converters that integrate renewable resources. The majority of integrated renewables such as PV and wind bring down system inertia and can cause stability issues due to their volatile nature. The state-of-the-art grid-forming (GFM) control is proven to enhance system inertia and stability in low-inertia systems. However, most of the existing GFM inverters are applied for battery systems, which are much more expensive than PV. Motivated by this, in this paper we propose a holistic grid-forming (GFM) control strategy for PV systems without the need of energy storage. The proposed strategy is developed on the secondary level of the grid-forming control that enables the PV inverter to operate smoothly among islanded, synchronization, GFM, and limited grid-forming (LGF) modes. The practical criteria for determining the operation modes are established and implemented based on the grid operation scenarios. Here, the proposed design is successfully validated by case studies with a laboratory prototype using Siemens Software Defined Inverters.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Integrating AEAD Ciphers into Software-Defined-Storage Systems

The use of software-defined storage (SDS) systems to store sensitive data is becoming increasingly prevalent. However, these systems primarily implement security measures to ensure the confidentiality and availability of stored data, with limited consideration for the protection of its integrity. This paper outlines why this is a harmful development, as well as how integrity-protecting measures can be included into SDS systems. To demonstrate the practical challenges and opportunities of such measures, we integrated "authenticated encryption with associated data" (AEAD) ciphers into the widely used SDS system Ceph, specifically, into its block storage interface, to secure the integrity of stored data and metadata. Ultimately, we identify the characteristics that an SDS system should possess to adopt our methodology.

Mohren, David [University of New Brunswick, Canada↗

A Portable Wave Tank and Wave Energy Converter for Engineering Dissemination and Outreach

Wave energy converters are a nascent energy generation technology that harnesses the power in ocean waves. To assist in communicating both fundamental and complex concepts of wave energy, a small-scale portable wave tank and wave energy converter have been developed. The system has been designed using commercial off-the-shelf components, and all design hardware and software are openly available for replication. This project builds on prior research conducted at Sandia National Laboratories, particularly in the areas of WEC device design and control systems. By showcasing the principles of causal feedback control and innovative device design, SIWEED not only serves as a practical demonstration tool but also enhances the educational experience for users. This paper presents the detailed system design of this tool. Furthermore, via testing and analysis, we demonstrate the basic functionality of the system.

educational↗

Physics-Informed Learning Machines for Multiscale and Multiphysics Problems (PHILMS) (Technical Report)

The research work at University of California Santa Barbara (UCSB) resulted in several new developments in the areas of scientific machine learning, numerical analysis, and practical methods for data-driven modeling, prediction, reductions, and simulation. Many of the projects were carried out in collaboration with members of the national laboratories at Sandia National Laboratories (SNL), Pacific Northwestern National Laboratories (PNNL), and other institutions. Results included developing new scientific machine learning methods, related theory and mathematical frameworks for analysis and training, data-driven numerical solvers, and related tools and software for scientific computation. During the support period, over 16+ papers were submitted for publication, and 4 open-source software packages were developed and released (available at http://atzberger.org/). In addition, 7+ students and 2 post-docs were mentored in collaboration with the laboratory staff for future careers in academia, government labs, and industry.

97 MATHEMATICS AND COMPUTING↗

FY24 – FY25 Efforts to Revive the ANS-54.8 Liquid Metal Fire Protection in LMR Plants Standard

The current multi-year effort seeks to utilize national laboratory support from Argonne to expedite revival of the ANS-54.8 standard titled “Liquid Metal Fire Protection in LMR Plants.” To achieve that objective, the following tasks were identified: Task 1 involves working directly with ANS to revive the ANS-54.8 Working Group. This was to be accomplished by completing necessary paperwork, submitting that paperwork to ANS for approval, enlisting potential working group members from industry, the NRC, national laboratories, and universities, and organizing and leading Working Group activities. The overall purpose of the Working Group is to develop an updated draft of ANS-54.8 for review and approval by ANS consensus committees, the ANS Standards Board, and certification from ANSI. Task 2 focuses on leveraging historical information and expertise at Argonne related to sodium fire protection systems and strategies. For more than a decade, Argonne has worked on both international and domestic projects related to sodium fire protection system development and evaluation. The goal of this task is to utilize that experience to help inform the ANS-54.8 Working Group on important considerations that may be addressed in an updated draft of ANS-54.8. Task 3 focuses on leveraging Argonne experience in the development of and use of analysis methods and tools for the simulation of sodium fire scenarios and evaluation of the effectiveness of sodium fire protection systems and strategies. For more than a decade, Argonne has recovered, modified, and utilized several historical sodium fire analysis software tools. The goal of this task is to utilize that experience to help inform the ANS-54.8 Working Group of best practices for sodium fire progression analysis that may be addressed in an updated draft of ANS-54.8.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Comparing Control Performance Between Simulation and Experiment using the Microreactor Automated Control System Testbed

In the advanced reactor domain, a flexible and scalable software/hardware infrastructure is crucial for integrating and validating various control technologies. This study used the Microreactor Automated Control System (MACS) hardware platform as a testbed. MACS was originally designed to mirror Idaho National Laboratory (INL)'s Microreactor Applications Research Validation and Evaluation (MARVEL), a 85-kW thermal fission microreactor. It features control drums for simulated reactivity control; lights that function as a surrogate reactor core, with the brightness being proportional to the reactor power; and light sensors that emulate neutron detectors. To transform MACS into a physical twin of MARVEL for evaluating control methods, the Control and Optimization Modular Modeling Application for Nuclear Deployment (COMMAND) software was employed. This software integrated the hardware with two models of the MARVEL core, based on Reactor Excursion and Leak Analysis Program (RELAP5-3D) and Monte Carlo N-Particle (MCNP) models. The study aimed to demonstrate the gap between control theory and actual practice—a gap that often necessitates empirical adjustments such as control gain retuning, filters, time discretization, and integrator anti-windup measures. Controllers were developed based on increasingly complex simulations without hardware, starting from the base MARVEL model and then introducing actuator saturation constraints and sensor noise. The final control strategy was then tested using MACS, and a comparative performance analysis was conducted.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

Myna

The additive manufacturing (AM) community has been developing digital factory tools over the past decade to better leverage the multi-modal process data coming out of the advanced manufacturing process. As a result, numerous databases of additive manufacturing process data exist in the literature and in the archival storage of disparate research groups. While some efforts have been made to create a standard ontology for storing and sharing AM data, in practice a variety of data structures are used to store AM build data, even within a single institution. This causes many problems for maintainability and extensibility when attempting to integrate computational modeling tools with experimental data to either validate models or to provide further insight into results and trends. Myna is a Python-based framework that aims to decrease the effort needed to connect individual computational models to the variety of AM process data that exist in different research groups and institutions. This type of software is sometimes referred to as "middleware" or “glueware,” in that it connects disparate databases and applications into a single computational ecosystem. Instead of maintaining unique interfaces between each application and each database, developers can create a single interface from each application to Myna and thereby gain access to the implemented database connections. Similarly, developing a database connection in Myna provides access to the developed simulation applications. This framework greatly simplifies the maintainability of model applications that rely on experimental data. Using external simulation tools, users will also be able to run pre-configured workflows using the built-in workflow manager. Several examples of input files are provided with Myna for different workflows, including melt pool geometry predictions and detailed melt pool and solidification microstructure predictions.

Knapp, GerryL. [Oak Ridge National Laboratory (ORN↗

An end-to-end workflow for executing a classically bootstrapped variational quantum algorithm on an academic quantum computer

Academic quantum computing platforms often face unique challenges in executing quantum workloads due to fragmented software environments and limited engineering support. Unlike commercial ecosystems, academic devices typically evolve without full-stack integration in mind, making it difficult to run complex applications—such as variational quantum algorithms (VQA)—reliably and efficiently. Issues such as incompatible software layers and lack of automated job management significantly increase the overhead of theory-experiment collaboration. To address these challenges, we develop a modular, end-to-end workflow that decouples application-layer code from low-level hardware control, automates circuit submission and result collection, and supports fine-grained circuit-level job scheduling and recovery. The architecture employs a dual-end application programming interface (API) design, enabling robust operation across unstable or resource-constrained hardware backends. For practical use, the framework is lightweight and user-friendly, allowing rapid prototyping of full-stack workflows using basic Python tools. We validate this workflow on a high-fidelity trapped-ion quantum computer by demonstrating a variational quantum eigensolver (VQE) experiment with a classically bootstrapped ansatz initialization technique. The system successfully executed over 60,000 circuits across multiple molecular test cases with minimal human intervention, highlighting the framework’s effectiveness in enabling reproducible, resilient quantum experimentation in academic settings.

Clifford↗