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Polymer Modeling Library

SAND2022-12598 O The Polymer Modeling Library is a software package for modeling polymer chains, networks, and materials by applying existing theories and methods. 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.

Buche, Michael [Sandia National Lab. (SNL-CA), Liv↗

Securing Smart Manufacturing: Detection of Cyber-Physical Attacks in CNC-Based Systems

As Industry 4.0 advances, the integration of computer numerical control (CNC) machines and advanced manufacturing technologies is transforming production into smart manufacturing systems that blend physical and digital processes as cyber-physical systems. However, this increased cyber-physical connectivity exposes manufacturing systems to cyber threats that can cause severe operational and financial disruptions. This paper presents a comparative study on cyber attacks and anomaly detection techniques in manufacturing, focusing on network traffic from CNC machines. The data extracted from network packets includes machine commands and control signals exchanged between the machine's interface and control system, crucial for maintaining operational integrity. We explore two types of cyber attacks, design modification and command injection, which pose substantial risks to CNC machine productivity and system integrity. Our investigation involves experiments on a real CNC system, highlighting the urgent need for effective detection mechanisms. To address these threats, we evaluate three anomaly detection methods: dynamic time warping (DTW), rolling average, and a deep learning, long short-term memory (LSTM) time-series-based autoencoder. Each is assessed for its effectiveness in identifying anomalous behaviors caused by the attacks. Our findings demonstrate the unique strengths and limitations of each detection technique, providing a deeper understanding of their applicability in realworld manufacturing environments. The comparative analysis indicates that while certain methods are highly effective against specific attack types, others offer broader applicability across different attacks. This study contributes to the accurate detection of anomalies in CNC machining processes, thereby enhancing the reliability and security of smart manufacturing systems against diverse cyber threats.

Williams, Bethanie [Tennessee Technological Univer↗

Bayesian GAN-Based False Data Injection Attack Detection in Active Distribution Grids With DERs

Advancements in information and communication technologies have revolutionized monitoring and control capabilities within smart grids. However, it also brings new vulnerabilities to data acquisition systems and state estimation functions, which attackers can subtly tamper with the measurement data through compromising the communication network. Moreover, the high penetration of renewable energy sources with the inherited characteristics of uncertainty and variability further complicates the design of effective intrusion detection systems. In this paper, a Bayesian deep learning-based approach is developed to detect cyber attacks and maintain the security of smart grids. Our method specifically addresses the prevalent issue of imbalanced data in real power systems, which arises from the predominance of normal system operations over compromised or attacked states. Employing a novel Bayesian GAN-based technique, our approach successfully discriminates between secure and compromised measurement data, even in scenarios with significant data imbalance. Furthermore, the proposed method accommodates various practical application factors, ensuring accurate intrusion detection despite the presence of measurement noise. The feasibility and effectiveness of the proposed detection mechanism are validated by testing on IEEE 13-node and 123-node test systems. Simulation results and comparisons with literature methods demonstrate the superiority of proposed cybersecurity solutions.

Bayesian GAN↗

CIE Analysis Process for Engineered Systems

"CIE Analysis Process for Engineered Systems" outlines a comprehensive methodology for integrating Cyber-Informed Engineering (CIE) principles into both new and existing engineered systems. Sponsored by the U.S. Department of Energy’s Office of Cybersecurity, Energy Security, and Emergency Response (DOE CESER), the process aims to achieve cyber-informed decisions by producing functional security requirements for new systems and retrofitting existing systems to mitigate digital risks. The document details a step-by-step approach, including mission and function definition, digital asset awareness, consequence analysis, and mitigation analysis. It emphasizes the importance of documenting mechanical, electrical, programmable, and network components to protect system functions and provides examples and considerations for each step. The ultimate goal is to ensure that engineered systems remain resilient against cyber threats, maintaining safety, performance, and reliability.

42 - ENGINEERING↗

Rapid neutron and gamma-ray source localization using machine learning

Rapid localization of radiation sources is critical for applications including nuclear emergency response, safeguards, and security. However, conventional imaging systems such as neutron scatter cameras and Compton cameras depend on rare coincidence events, which often result in long acquisition times. In this work, we address the challenge of rapid source localization by developing a machine learning approach to predict the direction of a single radiation source using only count rates from an array of neutron and gamma-ray detectors. The proposed model is a fully connected neural network (FCNN) trained using Monte Carlo simulation data from a 252 Cf source. The model hyperparameters are optimized with a small set of routine 252 Cf measurements. We benchmarked the performance of the trained and optimized machine learning model using additional 252 Cf , 137 Cs , and PuBe measurements under laboratory conditions with varying source-detector configurations. For these measurements, the machine learning model achieved a mean localization error smaller than 30° with 3 x 10 3 system counts, corresponding to 8 s measurement time for the imaging system used in this work. In this low-statistics regime, the method outperformed traditional scatter-based imaging by more than 75% in localization accuracy for the evaluated measurement configurations. These results demonstrate that a machine learning-based approach can significantly reduce the time required for accurate single-source localization, providing a robust and computationally efficient alternative to traditional imaging systems in time-critical nuclear security and emergency response scenarios.

Gamma-ray imaging↗

Code for BALDR Study 07.05 v.1.0.0

SAND2024-01293O The Code for BALDR Study 07.05 software reproduces results from the BALDR study concerning "A Semi-Supervised Learning Method to Produce Explainable Radioisotope Proportion Estimates for NaI-based Synthetic and Measured Gamma Spectra." The code for BALDR Study 07.05 can reproduce a scientific study following the step numbers within the file names. Using synthetic and measured data to find the best model for the radioisotope proportion estimation task of interest, the study generated results for inclusion in a paper. The high-level methods involved are neural networks, semi-supervised learning, and out-of-distribution detection. 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.

Morrow, Tyler↗

Securing the Modern Grid: Federal Investments, Digitization, and Supply Chain Strategy

Across the United States (U.S.) grid expansion and modernization is underway, paving the way for accelerated load growth and intelligent resource management. Digitization of the grid is supported by several state and federal programs, providing support for utilities installing advanced metering infrastructure (AMI), AI-powered analytics systems, battery energy storage systems (BESS), and distributed energy resource management systems (DERMS) to transform the grid from a one-way power delivery system into an intelligent, responsive network that will enable faster load growth and power expansion of data centers for advanced artificial intelligence (AI) applications. The digital transformation of America's grid presents opportunity for increased efficiency and resiliency but also introduces new digital risks that require careful management. Digital equipment often contains several vulnerabilities such as unencrypted communication protocols, and persistent remote access capabilities that could be exploited to manipulate device settings, coordinate service disruptions, or inject false data into grid operations. These digital risks become particularly important as the grid must rapidly scale to support AI-driven data centers, which the administration has identified as essential for maintaining U.S. technological leadership and economic competitiveness. These vulnerabilities are compounded by supply chain realities: Chinese manufacturers currently produce 70-90% of essential grid components including inverters, batteries, and control systems, with the U.S. lacking domestic manufacturing capacity for critical assets like extra-high voltage transformers. Recent federal legislation has established Foreign Entity of Concern (FEOC) restrictions to address these risks, requiring projects to achieve escalating thresholds of non-FEOC content to receive tax credits while utilities work to expand sourcing channels for their supply chains and strengthen security measures. These restrictions arrive precisely when utilities face unprecedented electricity demand growth driven by the rapid growth in data centers, creating a considerable challenge: rapidly expanding infrastructure while navigating complex compliance requirements while lacking viable alternatives for many critical components. Idaho National Laboratory (INL) and its partners have developed practical approaches to help utilities navigate these intersecting challenges as they leverage federal investment to strengthen and grow the grid. These solutions include Cyber-Informed Engineering (CIE) principles that build resilience directly into systems, the Cirrus tool for secure cloud migration, and enhanced procurement guidance that embeds security requirements throughout equipment lifecycles. Federal initiatives, such as the Technical Assistance for Digital Assurance (TADA) project, provide direct support to utilities implementing these approaches while facilitating knowledge sharing across the industry. While these tools and frameworks cannot eliminate all risks inherent in foreign supply chain dependencies, they offer pragmatic pathways for strengthening security posture without sacrificing the deployment momentum essential to meeting surging electricity demand. Ultimately, securing America's digital energy infrastructure demands dedicated coordination across multiple fronts: building domestic supply chains, implementing robust digital assurance practices, and maintaining the aggressive modernization timeline necessary for reliability, resilience, and energy independence.

24 POWER TRANSMISSION AND DISTRIBUTION↗

APEC Poster

A wireless authentication protocol that employs timeslots and associated frequency- channels (APEC) is simulated using Python as the simulation environment and implemented into radio hardware as a proof of concept. The APEC protocol does not rely o n the use of challenge -response, multifactor authentication schemes but relies instead on the physical properties of a wireless signal. The APEC protocol provides opportunities for real-time deployment in cell phone network infrastructure, as well as in adverse civil and military applications. Description of the APEC implementation and the corresponding results of the simulation study are presented.

42 - ENGINEERING↗

Engineering Controls Database

Cyber-Informed Engineering (CIE) addresses the reality that cyber attacks on engineered systems can have consequences far beyond data loss or disruption of digital networks. When control systems are compromised, safety, reliability, and performance of the physical process itself may be threatened. This database is meant to establish clear examples and guidance for defining and applying engineered controls in CIE. It explains what engineered controls are, how they differ from information security measures, and how they are integrated into system design. The goal is to ensure that resilience is engineered into systems from the outset. Unlike cybersecurity protections that defend the digital layer, engineered controls act directly at the physical and algorithmic levels to guarantee that unacceptable consequences are prevented or limited. CIE keeps the consequences of a cyber attack from impacting the safety, reliability, and performance of engineered systems.

Source record↗

nnopf

SAND2026-19433O The nnopf tool addresses the optimal power flow (OPF) problem by optimizing electricity delivery from generating plants to consumers. At the same time, it minimizes costs and adheres to power grid constraints. While traditional methods for solving OPF can be computationally intensive, the tool mitigates this challenge by training neural networks on power grids to predict optimal solutions for the OPF problem. 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.

Hart, William [Sandia National Lab. (SNL-CA), Live↗

Energy Resilience for Mission Assurance: Agile Co-simulation for Cyber Energy System Security (ACCESS), Model Advancements for Resilience Analysis

Agile Co-simulation for Cyber Energy System Security (ACCESS) is a co-simulation platform developed by Lawrence Livermore National Laboratory (LLNL). The primary high-level use-case for ACCESS is to study existing or new cyber-physical critical infrastructure systems, with a heavy emphasis on 1) systems that utilize communication networks, and 2) studies that seek to understand cyber-related system impacts. ACCESS is currently used for several energy system resilience projects at LLNL. In the Energy Resilience for Mission Assurance (ERMA) project, ACCESS is used in the Modeling for Metric Calculation task (specifically, subtask 4.3, Communications and Cyber Modeling) to model and simulate the cyber and communication system aspects of Defense Critical Electric Infrastructure (DCEI) systems, with a focus on computing specific communication system metrics that can impact system resilience and mission performance. Simulated communication system performance will be fed back to other ERMA system components so that mission performance can be evaluated holistically. This report describes several enhancements to the ACCESS platform that were implemented during the execution of the ERMA project in support of reslience analysis. This includes the addition of new models and subsystems, enhancements to existing models, and integration with external systems. The remainder of this report is structured as follows. In Section 2, a brief background description of the ACCESS platform is provided, including an outline of ACCESS components, example usecases, and a set of communication network resilience metrics that can be computed with ACCESS. Section 3 describes the ACCESS model enhancements for ERMA in detail. Finally, Section 4 briefly outlines future integration opportunities between ACCESS and project participant capabilities identified during the progression of the project.

97 MATHEMATICS AND COMPUTING↗

Energy Resilience for Mission Assurance, Agile Co-simulation for Cyber Energy System Security (ACCESS) Model Advancements for Resilience Analysis (Version 3, July 2023)

Agile Co-simulation for Cyber Energy System Security (ACCESS) is a co-simulation platform developed by Lawrence Livermore National Laboratory (LLNL). The primary high-level use-case for ACCESS is to study existing or new cyber-physical critical infrastructure systems, with a heavy emphasis on 1) systems that utilize communication networks, and 2) studies that seek to understand cyber-related system impacts. ACCESS is currently used for several energy system resilience projects at LLNL. In the Energy Resilience for Mission Assurance (ERMA) project, ACCESS is used in the Mod eling for Metric Calculation task (specifically, subtask 4.3, Communications and Cyber Modeling) to model and simulate the cyber and communication system aspects of Defense Critical Electric Infrastructure (DCEI) systems, with a focus on computing specific communication system metrics that can impact system resilience and mission performance. Simulated communication system per formance will be fed back to other ERMA system components so that mission performance can be evaluated holistically. This report describes several enhancements to the ACCESS platform that were implemented during the execution of the ERMA project in support of reslience analysis. This includes the addition of new models and subsystems, enhancements to existing models, and integration with external systems. The remainder of this report is structured as follows. In Section 2, a brief background description of the ACCESS platform is provided, including an outline of ACCESS components, example use cases, and a set of communication network resilience metrics that can be computed with ACCESS. Section 3 describes the ACCESS model enhancements for ERMA in detail. Finally, Section 4 briefly outlines future integration opportunities between ACCESS and project participant capabilities identified during the progression of the project.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Cyber-Informed Engineering (CIE) – Engineered Controls Database and Use

Cyber-Informed Engineering (CIE) addresses the reality that cyber-attacks on engineered systems can have consequences far beyond data loss or disruption of digital networks. When control systems are compromised, safety, reliability, and performance of the physical process itself may be threatened. This database is meant to establish clear examples and guidance for defining and applying engineered controls in CIE. It explains what engineered controls are, how they differ from information security measures, and how they are integrated into system design. The goal is to ensure that resilience is engineered into systems from the outset. Unlike cybersecurity protections that defend the digital layer, engineered controls act directly at the physical and algorithmic levels to guarantee that unacceptable consequences are prevented or limited. CIE keeps the consequences of a cyber attack from impacting the safety, reliability, and performance of engineered systems.

42 - ENGINEERING↗

Resilient Information Architecture Platform for Smart Grid (RIAPS)

A number of emerging trends will substantially alter the operation and control of the electric grid over the next several decades. These trends include ensuring resiliency under severe weather events, increasing integration of renewable electricity generation, supporting changing electricity demand patterns, and the improving cost effectiveness of distributed energy resources. To address these challenges, the future “Smart Grid” management will need to transition from centralized to coordinated distributed control paradigm. Reliable operation of the Smart Grid depends on distributed intelligence realized through software applications that run on distributed computing devices attached to the power system to collect data and collaboratively manage resources. However, much of the existing software for Smart Grid-enabled devices is either proprietary or developed with custom solutions, which limits interoperability among the heterogeneous devices and hinders the ability to manage system-level reliability, security, and resiliency requirements. Additionally, this approach makes Smart Grid applications hard to maintain, evolve, verify, and replace; resulting in high development and deployment costs. Further development of the Smart Grid requires a reusable software base-layer to move from hard-coded functionality to a plug-and-play architecture capable of managing system-level objectives and constraints in addition to providing consistent common services across heterogeneous devices and applications. Vanderbilt University, in collaboration with North Carolina State University and Washington State University has developed a foundation ‘software platform’ for developing and deploying robust, reliable, effective and secure software applications for the Smart Grid. The Resilient Information Architecture Platform for the Smart Grid (RIAPS) provides core services for building effective and powerful smart grid applications. It offers unique services for real-time data dissemination, fault tolerance, and coordination across apps distributed over the network.

24 POWER TRANSMISSION AND DISTRIBUTION↗

An Assessment of the Usability of Machine Learning Based Tools for the Security Operations Center

Gartner, a large research and advisory company, anticipates that by 2024 80% of security operation centers (SOCs) will use machine learning (ML) based solutions to enhance their operations. 1 1 https://www.ciodive.com/news/how-data-science-tools-can-lighten-the-load-for-cybersecurity-teams/572209/ In light of such widespread adoption, it is vital for the research community to identify and address usability concerns. This work presents the results of the first in situ usability assessment of ML-based tools. With the support of the US Navy, we leveraged the national cyber range-a large, air-gapped cyber testbed equipped with state-of-the-art network and user emulation capabilities-to study six US Naval SOC analysts' usage of two tools. Our analysis identified several serious usability issues, including multiple violations of established usability heuristics for user interface design. We also discovered that analysts lacked a clear mental model of how these tools generate scores, resulting in mistrust a and/or misuse of the tools themselves. Surprisingly, we found no correlation between analysts' level of education or years of experience and their performance with either tool, suggesting that other factors such as prior background knowledge or personality play a significant role in ML-based tool usage. Our findings demonstrate that ML-based security tool vendors must put a renewed focus on working with analysts, both experienced and inexperienced, to ensure that their systems are usable and useful in real-world security operations settings.

Oesch, T↗

LDRD 2022 Annual Report: Laboratory Directed Research and Development Program Activities

Each year, Brookhaven National Laboratory (BNL) is required to provide a report of its completed Laboratory Directed Research and Development Program (LDRD) projects to the Department of Energy (DOE) Office of Scientific and Technical Information in accordance with DOE Order 413.2C Chg1 (MinChg) dated August 2, 2018. This report provides a detailed look at the scientific and technical activities for each of the LDRD projects funded by BNL in FY 2022, in fulfillment of that requirement. In FY 2022, the BNL LDRD Program funded 70 projects, 30 of which were new starts, at a total cost of $17.2M. The investments that BNL makes in its LDRD program support the Laboratory’s strategic goals. BNL has identified seven scientific initiatives that define the Laboratory’s scientific future and that will enable it to realize its overall vision. This requires simultaneous excellence in all aspects of BNL’s work – from science and operations, to external partnerships with the local, state, and national communities, and beyond. This is enabled by safe, efficient, and secure operations; by an unwavering commitment to a diverse, equitable, and inclusive environment, including workforce development, both with staff and reaching out to the community; and by a strong focus on renewed infrastructure. The seven scientific initiatives are: 1) Nuclear Physics: uncover the structure of visible matter by constructing and operating the Electron-Ion Collider at BNL to maintain international leadership in nuclear physics for decades; 2) Clean Energy and Climate: support a net-zero U.S. economy through fundamental research in basic energy and climate sciences to revolutionize grid-scale storage, renewable integration, and the study of atmospheric processes with a new facility to improve climate predictability; 3) Quantum Information Science and Technology: discover new quantum materials to enhance quantum computers and develop an entanglement sharing quantum network as a prototype for the first quantum internet; 4) Discovery Science Driven by the Human-AI Facility Integration: revolutionize the operation of experiments across the sciences at user facilities and in core programs; 5) High Energy Physics: understand the origin of space and time with the ATLAS high luminosity upgrade at CERN and the future Long Baseline Neutrino Facility/Deep Underground Neutrino Experiment; 6) Isotope Production: accelerate and expand isotope production to ensure the security of the Nation’s supply; 7) Accelerator Science and Technology: harness the cross-cutting accelerator science expertise at BNL to develop new facilities, improve and expand its user facilities, and promote the use of accelerators in industry. The funded projects support BNL’s seven scientific initiatives and priority programs as well as new areas of research and competencies at the Laboratory that are consistent with the Laboratory’s vision and mission. In total, these LDRD investments supported 43 postdoctoral researchers in whole or in part and resulted in 138 publications and 7 awards. This Program Activities Report represents the future of BNL science; it is an impressive body of exploratory work that investigates many scientific and technical directions in support of the DOE and BNL missions.

99 GENERAL AND MISCELLANEOUS↗

The Dynamic Networks Experiments: Virtual Experiments to Quantify Gains in Nuclear Explosion Monitoring

We describe an ongoing series of virtual experiments conducted collaboratively by four United States National Laboratories: Sandia National Laboratories, Los Alamos National Laboratory, Lawrence Livermore National Laboratory, and Pacific Northwest National Laboratory. These Dynamic Network Experiments (DNEs) provide an experimental framework to evaluate the potential impact of new research tools on nuclear explosion monitoring. The second DNE (DNE2), completed in 2024, exploited waveform data (seismic, infrasound, and electromagnetic) that was recorded by multi-modal sensors within and near the Nevada National Security Site and synthetic radionuclide signatures over multiple time periods. During the execution of DNE2, we processed and analyzed data through a multi-stage event processing pipeline that ingested raw data, performed quality control, detected signals, built events from these signals, located these events, and characterized the events’ source types and sizes. For each stage and over the entire event processing pipeline, we evaluated performance changes by comparing the performance of new data processing methods, models, and algorithms against a baseline. We also performed an additional execution phase to assess event processing pipeline function, speed, and efficiency against that of an expert analyst, including computational and manual efforts. Finally, we assessed the impact and effort of modern computing infrastructure on the monitoring pipeline. This paper describes key elements of the DNEs, from formulation through execution, as demonstrated in DNE2. The DNEs introduce several novel concepts to quantitatively measure the potential impact of new methods on explosion monitoring, including the collaborative design of multi-modal datasets, performance and logistical metrics, and integrated analyses.

42 ENGINEERING↗

MPNN

SAND2022-6885 O Minima-Preserving Neural Network (MPNN) is a software library for learning functions with known minima 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.

Sargsyan, Khachik↗