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DOE OSTI2025

Grid Communications: Cybersecurity and Supply Chain Challenges and Emerging Regulation Session Three

The TADA Grid Communications Workshops are designed to strengthen cybersecurity and digital assurance across the energy sector by focusing on secure deployment and management of grid communications technologies. These workshops bring together state energy offices, utilities, and technology suppliers to explore the intersection of communications infrastructure, supply chain risks, and emerging regulatory requirements. Participants will apply Cyber-Informed Engineering (CIE) principles to reduce risks in communications systems, engage with INL’s procurement guidance, and explore future tools. Through scenario-based exercises and peer exchange, attendees will develop risk-based security strategies and actionable compliance roadmaps tailored to their grid communications projects. The workshops also help participants navigate evolving regulatory frameworks such as FEOC rules in the OBBB, NERC CIP-013, and NDAA 2024, while identifying compliance gaps in mixed-technology environments. A key outcome is the formation of a practitioner network with ongoing access to INL expertise and resources, fostering long-term resilience in the digital energy ecosystem. This is Session 3 of 3 (Full Version).

29 - ENERGY PLANNING, POLICY AND ECONOMY↗

DOE OSTI2025

Grid Communications Supply Chain & Emerging Regulation Challenges Session 1

29 - ENERGY PLANNING, POLICY AND ECONOMY↗

DOE OSTI2024

Boron and lithium aqueous thermochemistry to model crud deposition in pressurized water reactors

Here, a comprehensive database of boron and lithium aqueous thermochemistry has been developed for use at elevated temperatures. The Helgeson-Kirkham-Flowers (HKF) formalism provides a framework to describe thermodynamic properties over a broad range of temperatures and pressures. Accuracy at high temperatures is vital to modeling nickel oxide and ferrite fuel deposits that occur in pressurized water nuclear reactors (PWRs). CALPHAD (CALculation of PHAse Diagrams) calculations are performed at PWR crud conditions to predict the stability regions of the solid lithium metaborate (LiBO 2 ) and lithium tetraborate (Li 2 B 4 O 7 ) precipitates. In addition, similar calculations are performed using sodium and potassium instead of lithium in order to assess the thermodynamics associated with preventing the formation of such precipitates. This database contributes to understanding of crud formation and composition and will aid in the prediction of phenomena such as Crud-Induced Power Shifts (CIPS).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Prediction and Experimental Verification of Electrolyte Solvation Structure from an OMol25-Trained Interatomic Potential

A molecular-level understanding of electrolyte solvation structure and ion–ion correlations is critical to developing next-generation battery chemistries. Atomistic simulation capabilities with sufficient accuracy, speed, and transferability to deliver reliable structural insights while avoiding arduous system-specific reparameterization are thus highly desirable. Machine learning interatomic potentials (MLIPs) trained on large, chemically diverse data sets are revolutionizing computational chemistry, enabling molecular dynamics simulations of battery electrolytes with near-DFT accuracy over 10,000× faster than DFT. While previous MLIP training data sets with suitable elemental coverage for electrolytes have been based on inorganic materials, the Open Molecules 2025 (OMol25) data set provides large-scale molecular DFT MLIP training data with broad elemental coverage and specifically samples tens of millions of electrolyte configurations. Here, we integrate computational modeling with experimental validation to systematically assess the ability of large-scale MLIPs pretrained on materials data or on OMol25 to accurately resolve nanoscale structural organization and ion-solvation characteristics in Na-ion battery electrolytes across diverse physicochemical conditions and compositional regimes. We find that the OMol25-trained Universal Model of Atoms (UMA-OMol) predicts experimentally measured densities and X-ray structure factors in substantially better agreement compared to state-of-the-art models trained only on inorganic materials data. Using UMA-OMol, we further analyze systematic trends in solvation structure as a function of cation identity, anion chemistry, salt concentration, and solvent topology. We observe that increasing system temperature amplifies the heterogeneity within the solvation environment, perturbing cation–solvent interactions and promoting the formation of contact ion pairs (CIPs). Moreover, subtle variations in the solvent topology of glyme-based electrolytes cause pronounced changes in ion correlations and solvation structure. The experimental agreement and microscopic insights shown here position OMol25-trained MLIPs as a practical route to predictive, high-throughput electrolyte simulations beyond the limits of classical force fields and direct DFT molecular dynamics, serving as a powerful tool for accelerating the design of next-generation Na-ion battery electrolytes and beyond.

MLIPs↗

DOE OSTI2026

Mixed-anion electrolytes: from bulk speciation to interfacial dynamics in divalent metal electrodeposition

Mixing anions is emerging as a promising strategy for multivalent electrolyte design, allowing for adjustment of the solvation structure of bulk cations and enhancing the efficiency of electrochemical processes (e.g. metal deposition for batteries and catalysis). Further progress in electrolyte development requires a fundamental understanding of how tailored electrolyte speciation in mixed anion systems can modify the dynamic electrochemical interface during metal cycling. In this study, we present an anode-focused mechanistic study of exemplar Mg electrolytes containing three different secondary anions, correlating electrochemical behavior with bulk speciation and operando interfacial dynamics. Electrospray Ionization-Mass Spectrometry (ESI-MS) results reveal a general trend of forming mixed anion contact ion pairs (CIPs) across various anions, with the extent of ion pairing influenced by the association strength of the secondary anion. Operando multiharmonic electrochemical quartz crystal microbalance with dissipation (EQCM-D) reveals how these bulk species influence interfacial mass uptake, viscoelasticity, and solvent-coupled hydrodynamic behavior during deposition and stripping. The results indicate that Mg-containing ion pairs and solvated complexes shape adsorption, nucleation, and deposit growth, leading to distinct anion-dependent interphases ranging from more permeable, solvent-coupled layers to relatively compact and rigid deposits. This work establishes a quantitative link between bulk speciation and interfacial dynamics in divalent metal electrodeposition and provides mechanistic guidance for electrolyte design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Effects of thin metal contacts on few-layer van der Waals ferrielectric CuInP 2 S 6

Out-of-plane polarized ferroelectric materials in a capacitive structure provide a key component for several technological applications. Furthermore, two-dimensional materials are expected to aid in the quest for both ultrathin and flexible electronics. Of the various two-dimensional ferroelectrics with out-of-plane polarization, CuInP 2 S 6 is special in that the Cu atoms are highly mobile and it has been shown to possess both low- and high-polarization states. Here, using density-functional-theory calculations, we explore the stabilization of the ferroelectric state for several prototypical metal contacts (Gr, Ni, Cu, Au, and Ag). In all cases, we find that the ferroelectric state can be stabilized at fewer layers than in the freestanding case. For all of the considered conventional metal contacts, we also find the existence of a quasi-ferroelectric state that stabilizes a polar phase for thicknesses greater than two layers of CIPS. In the cases of Au and Ag, interfacial alignment and strain can be used to stabilize ferroelectricity at the bilayer limit. Furthermore, we find that the strength of the interaction between the contact and CuInP 2 S 6 also leads to stabilization of the high-polarization state when ferroelectricity is stabilized. Lastly, energy-barrier calculations show that the system is still switchable in the presence of contact doping from the metal contacts.

2D materials↗

DOE OSTI2025

Architecture of the personnel protection systems for Spallation Neutron Source Second Target Station

The Oak Ridge National Laboratory (ORNL) is implementing a major upgrade to the Spallation Neutron Source (SNS) facility, encompassing the addition of the Second Target Station (STS). Preliminary design reviews have been conducted on several STS Personnel Protection Systems (PPS). The reviews focused primarily on the integration with the existing SNS PPS, the new proton transport tunnel, and the target areas. Development of the PPS is ongoing, to ensure a coherent safety system with the mission of protecting users and workers from prompt radiation hazards while providing high beam availability to operations. The STS PPS element in the Integrated Control System (ICS) is a facility-wide system composed of multiple safety subsystems, including the Ring to Second Target (RTST) beam transport tunnel, Target, Bunker and Instruments. Personnel working in all these geographic areas are protected by modular reliable PPS solutions. The safety system enforces access controls, radiation monitoring, beam destination control, and application of critical device inhibit upon detection of abnormal condition. It uses well-documented processes, Common Industrial Protocol (CIP) safety, pulsed test, and redundancy to achieve the desired Safety Integrity Level (SIL). This paper gives an architectural overview of the STS PPS and a detailed safety plan for the SNS facility, addressing safety solutions and human factors.

Michaelides, Tommy [ORNL] (ORCID:0000000190499869)↗

DOE OSTI2024

Community Involvement Plan

The purpose of this CIP (formerly known as a Community Relations Plan) is to provide clear guidance for engaging and informing the community during the Superfund clean-up activities being performed at the Lab. Since being listed on the CERCLA National Priorities List (NPL) in 1989, establishing opportunities for public involvement and decision making throughout the Superfund clean-up process has been a priority of the Lab.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2026

Navigating United States Standards and Regulation for Digital Energy Systems

This report provides an analysis of the U.S. standards and regulatory landscape for digital energy systems, focusing on cybersecurity, safety, and reliability requirements. It examines the interplay between federal mandates, state regulations, voluntary industry standards, and utility-specific policies, highlighting critical gaps between compliance and real-world risk mitigation. While NERC CIP standards enforce cybersecurity for Bulk Electric System assets, distribution-level infrastructure and emerging technologies often fall outside mandatory oversight, creating vulnerabilities. The report identifies systemic challenges such as reliance on self-attestation, uneven state adoption of safety codes, and lagging standards for advanced technologies like battery energy storage and inverter-based resources. Through a detailed gap analysis, it underscores the urgency of proactive risk-based approaches, independent verification, and strategic engagement with state and federal entities. Recommendations include adopting tiered security frameworks, strengthening procurement practices, and addressing emerging technology risks to ensure resilient and secure digital energy infrastructure. This guidance is intended for utilities, regulators, and stakeholders navigating compliance obligations and seeking to enhance cybersecurity and safety beyond minimum standards.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

Cybersecurity Workforce Training for SMR Integration into Distribution Grids: A Competency Framework and Containerized Hands-On Lab for the SMR/DER/Microgrid Boundary

Small modular reactors (SMRs) and microreactors are entering the U.S. distribution grid as synchronous generation on feeders designed for loads and inverter-based distributed energy resources (DERs). No existing cybersecurity training program addresses this intersection of nuclear operations, DER management, and operational technology security. As subcontractor to Iowa State University on the CyDERMS Center, Argonne analyzed the relevant standards and training landscape, translated the resulting gaps into a twelve-objective competency framework across distribution-operator and graduate-analyst role tracks, and built a containerized training lab using a ∼400-bus composite grid model behind a realistically simulated Modbus TCP SCADA stack. The analysis isolates the balance-of-plant / energy-management-system (BOP/EMS) boundary as the critical jurisdictional seam where, as of March 2026, neither NRC nor NERC CIP cleanly claims cybersecurity responsibility for distribution-connected SMRs. The framework maps each objective across NIST CSF 2.0, ISA/IEC 62443, NIST NICE Task–Knowledge–Skill statements, and NRC RG 5.71 awareness-and-training controls. The training lab implements operator-recognition assessment scenarios spanning grid-side disturbances and telemetry-layer anomalies.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1972

An innovative approach to compensator design

The primary goal is to present for a control system a computer-aided-compensator design technique from a frequency domain point of view. The thesis for developing this technique is to describe the open loop frequency response by n discrete frequency points which result in n functions of the compensator coefficients. Several of these functions are chosen so that the system specifications are properly portrayed; then mathematical programming is used to improve all of these functions which have values below minimum standards. In order to do this several definitions in regard to measuring the performance of a system in the frequency domain are given. Next, theorems which govern the number of compensator coefficients necessary to make improvements in a certain number of functions are proved. After this a mathematical programming tool for aiding in the solution of the problem is developed. Then for applying the constraint improvement algorithm generalized gradients for the constraints are derived. Finally, the necessary theory is incorporated in a computer program called CIP (compensator improvement program).

Mitchell, J. R.↗

NASA NTRS1976

A computerized compensator design algorithm with launch vehicle applications

This short paper presents a computerized algorithm for the design of compensators for large launch vehicles. The algorithm is applicable to the design of compensators for linear, time-invariant, control systems with a plant possessing a single control input and multioutputs. The achievement of frequency response specifications is cast into a strict constraint mathematical programming format. An improved solution algorithm for solving this type of problem is given, along with the mathematical necessities for application to systems of the above type. A computer program, compensator improvement program (CIP), has been developed and applied to a pragmatic space-industry-related example.

Mitchell, J. R.↗

NASA NTRS1992

Identification of high-level functional/system requirements for future civil transports

In order to accommodate the rapid growth in commercial aviation throughout the remainder of this century, the Federal Aviation Administration (FAA) is faced with a formidable challenge to upgrade and/or modernize the National Airspace System (NAS) without compromising safety or efficiency. A recurring theme in both the Aviation System Capital Investment Plan (CIP), which has replaced the NAS Plan, and the new FAA Plan for Research, Engineering, and Development (RE&D) rely on the application of new technologies and a greater use of automation. Identifying the high-level functional and system impacts of such modernization efforts on future civil transport operational requirements, particularly in terms of cockpit functionality and information transfer, was the primary objective of this project. The FAA planning documents for the NAS of the 2005 era and beyond were surveyed; major aircraft functional capabilities and system components required for such an operating environment were identified. A hierarchical structured analysis of the information processing and flows emanating from such functional/system components were conducted and the results documented in graphical form depicting the relationships between functions and systems.

Swink, Jay R.↗

NASA NTRS1994

QPA-CLIPS: A language and representation for process control

QPA-CLIPS is an extension of CLIPS oriented towards process control applications. Its constructs define a dependency network of process actions driven by sensor information. The language consists of three basic constructs: TASK, SENSOR, and FILTER. TASK's define the dependency network describing alternative state transitions for a process. SENSOR's and FILTER's define sensor information sources used to activate state transitions within the network. Deftemplate's define these constructs and their run-time environment is an interpreter knowledge base, performing pattern matching on sensor information and so activating TASK's in the dependency network. The pattern matching technique is based on the repeatable occurrence of a sensor data pattern. QPA-CIPS has been successfully tested on a SPARCStation providing supervisory control to an Allen-Bradley PLC 5 controller driving molding equipment.

Freund, Thomas G.↗

NASA NTRS1995

The construction of high-accuracy schemes for acoustic equations

An accuracy analysis of various high order schemes is performed from an interpolation point of view. The analysis indicates that classical high order finite difference schemes, which use polynomial interpolation, hold high accuracy only at nodes and are therefore not suitable for time-dependent problems. Thus, some schemes improve their numerical accuracy within grid cells by the near-minimax approximation method, but their practical significance is degraded by maintaining the same stencil as classical schemes. One-step methods in space discretization, which use piecewise polynomial interpolation and involve data at only two points, can generate a uniform accuracy over the whole grid cell and avoid spurious roots. As a result, they are more accurate and efficient than multistep methods. In particular, the Cubic-Interpolated Psuedoparticle (CIP) scheme is recommended for computational acoustics.

Tang, Lei↗

NASA NTRS1997

Autogenic-Feedback Training Exercise (AFTE) Method and System

The Autogenic-Feedback Training Exercise (AFTE) method of the present invention is a combined application of physiologic and perceptual training techniques. such as autogenic therapy and biofeedback. This combined therapy approach produces a methodology that is appreciably more effective than either of the individual techniques used separately. The AFTE method enables sufficient magnitude of control necessary to significantly reduce the behavioral and physiologic reactions to severe environmental stressors. It produces learned effects that are persistent over time and are resistant to extinction and it can be administered in a short period of time. The AFTE method may be used efficiently in several applications, among which are the following: to improve pilot and crew performance during emergency flying conditions; to train people to prevent the occurrence of nausea and vomiting associated with motion and sea sickness, or morning sickness in early pregnancy; as a training method for preventing or counteracting air-sickness symptoms in high-performance military aircraft; for use as a method for cardiovascular training, as well as for multiple other autonomic responses, which may contribute to the alleviation of Space Motion Sickness (SMS) in astronauts and cosmonauts; training people suffering from migraine or tension headaches to control peripheral blood flow and reduce forehead and/or trapezius muscle tension; training elderly people suffering from fecal incontinence to control their sphincter muscles; training cancer patients to reduce the nauseagenic effects of chemotherapy; and training patients with Chronic Intestinal Pseudo-obstruction (CIP).

Cowings, Patricia S.↗

NASA NTRS1999

The CEOS International Directory Network Progress and Plans: Spring, 1999

The Global Change Master Directory (GCMD) serves as the software development hub for the Committee on Earth Observation Satellites' (CEOS) International Directory Network (IDN). The GCMD has upgraded the software for the IDN nodes as Version 7 of the GCMD: MD7-Oracle and MD7-Isite, as well as three other MD7 experimental interfaces. The contribution by DLR representatives (Germany) of the DLR Thesaurus will be demonstrated as an educational tool for use with MD7-Isite. The software will be installed at twelve nodes around the world: Brazil, Argentina, the Netherlands, Canada, France, Germany, Italy, Japan, Australia, New Zealand, Switzerland, and several sites in the United States. Representing NASA for the International Directory Network and the CEOS Data Access Subgroup, NASA's contribution to this international interoperability effort will be updated. Discussion will include interoperability with the CEOS Interoperability Protocol (CIP), features of the latest version of the software, including upgraded capabilities for distributed input by the IDN nodes, installation logistics, "mirroring', population objectives, and future plans.

Olsen, Lola M.↗

NASA NTRS1999

The CEOS International Directory Network: Progress and Plans, Spring, 1999

The Global Change Master Directory (GCMD) serves as the software development hub for the Committee on Earth observation Satellites' (CEOS) International Directory Network (IDN). The GCMD has upgraded the software for the IDN nodes as Version 7 of the GCMD: MD7-Oracle and MD7-Isite, as well as three other MD7 experimental interfaces. The contribution by DLR representatives (Germany) of the DLR Thesaurus will be demonstrated as an educational tool for use with MD7-Isite. The software will be installed at twelve nodes around the world: Brazil, Argentina, the Netherlands, Canada, France, Germany, Italy, Japan, Australia, New Zealand, Switzerland, and several sites in the United States. Representing NASA for the International Directory Network and the CEOS Data Access Subgroup, NASA's contribution to this international interoperability effort will be updated. Discussion will include interoperability with the CEOS Interoperability Protocol (CIP), features of the latest version of the software, including upgraded capabilities for distributed input by the IDN nodes, installation logistics, "mirroring", population objectives, and future plans.

Olsen, Lola M.↗