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At least 181 records · Page 10

FORCE Regression Testing

Via programs including the Light Water Reactor Sustainability and Integrated Energy Systems, the U.S. Department of Energy has invested in the Framework for Optimization of ResourCes and Economics (FORCE) software framework (Idaho National Laboratory 2024a) for the technical and economic analysis of nuclear-integrated energy systems (IES). Nuclear IES expand the use of nuclear from traditional baseload electricity generation to a flexible and adaptive source of combined heat and power. Nuclear heat can be used in the production of a variety of energy currencies such as hydrogen and ammonia as well as other heat applications including water desalination and district heating. FORCE is designed with the intent to provide interconnected analysis tools that enable the accurate technical and economic assessment of specific nuclear IES configurations for individual energy markets. FORCE consists of three main analysis pathways: HYBRID (Idaho National Laboratory 2024b), which contains high-resolution physical models for IES; Holistic Energy Resource Optimization Network (HERON) (Idaho National Laboratory 2024c), which analyzes IES long-term economic viability; and Optimization of Real-time Capacity Allocation (ORCA) (Idaho National Laboratory 2024d), designed for real-time control of IES via digital twins and optimal decision making, including autonomous and remote operation research. Development of the FORCE ecosystem is guided by three pillars: capability, which assures that the computational requirements of IES analysis are met by the software tools; reliability, which provides for consistent code performance and expected behaviors; and accessibility, which lowers the barrier to entry for using the software and accelerates analysis by users beyond the FORCE primary developers. Reliability of the FORCE ecosystem is established according to the American Nuclear Society?s Nuclear Quality Assurance (NQA-1) program [American Society of Mechanical Engineers 1982], with specific levels of software quality assurance (SQA) within NQA-1 applied to each software tool in FORCE. As the tools within FORCE have matured, some integration algorithms to accurately connect the software tools for holistic analysis have been developed and deployed within the FORCE software repository. In accordance with NQA-1 standards, regression tests are required to guarantee the software performs consistently even when new capabilities are added to the software. In this report, we document the deployment of both unit tests, which test the consistent behavior of small pieces of the FORCE code base, as well as integration tests, which test the consistent performance of full use cases for the FORCE integration algorithms. We further document the encapsulation of these tests within a test harness, which collectively checks for each successful test completion on demand. Finally, we document the automation of the test harness using GitHub Actions [GitHub 2024], which require all tests succeed before any new capability or other changes can be added to the FORCE integration software

97 MATHEMATICS AND COMPUTING↗

Ultra: Underwater Laser Telecommunications & Remote Access (Final Report)

High speed wireless communication has proven elusive in subsea environments due to the inherent bandwidth limitations of acoustics and range limitations of other transmission modalities. A truly connected subsea system necessitates a high-speed, resilient architecture that can enable the integration of new sensor technologies and edge analytics and allow closed-loop monitoring and control of subsea operations for integrity monitoring and optimization. Like terrestrial Internet of Things applications, the realization of this “digital subsea” vision requires the application of high speed, point-to-point wireless technologies to complement rather than replace “hard-wired” communications such as optical fiber or acoustic systems. This work addresses the development of ULTRA (Underwater LASER Telemetry and Remote Access), an ultra-long range underwater laser communications system for use in critical points of the subsea communications architecture to increase reliability, operational flexibility, and reduce communication system maintenance associated with physical subsea connections.

02 PETROLEUM↗

Effect of Aluminum Oxide on the Performance of Ionic Liquid-Based Aluminum–Air Battery

The aluminum–air (or oxygen) battery has received intense attention in the past because of its excellent benefits such as low cost and high energy density, but due to the challenging issues such as hydrogen evolution and inactive oxide film formation on the Al surface, it could not be fully applied. In this study, 1-Ethyl 3-Methyl Imidazolium Chloride ([EmIm]Cl) and aluminum chloride (AlCl3) are applied to resolve the aforementioned issues. Ex situ component-level and in situ cell-level open circuit voltage (OCV) tests combined with the physics-based model analyses were conducted to investigate the electrochemical reaction behaviors of the Al–air cell. Especially, the effect of aluminum oxide formation on the anode- and cathode-side reactions were analyzed in detail. The oxide film formed at the Al surface strongly was found to significantly impede the electrochemical reaction at the surface, and the film growth was controlled by decreasing the surface tension by aggressive anions. In the cathode side, the aluminum oxide precipitated in the porous cathode electrode was found to decrease the porous reaction area and block reactant access into the reaction sites. The effects of O2 solubility in the electrolyte, initial porosity and thickness of the porous electrode are compared in detailed, and optimal thickness is suggested.

25 ENERGY STORAGE↗

Shape-persistent phthalocyanine cages

Phthalocyanine (Pc), an electro-redox active moiety, has many attractive properties stemming from its large aromatic system and ability to act as a catalyst in electrochemical reactions, such as the CO 2 reduction reaction (CO 2 RR). However, due to the synthetic challenge related to geometric requirements and poor solubility (strong aggregation), discrete shape-persistent cages consisting of site-isolated, readily accessible Pc moieties have not been available. Here, we report the synthesis of Zn- and Ni-metallated Pc-based molecular cages via one-step dynamic spiroborate linkage formation in high yields. The ZnPc cage structure is unambiguously elucidated at the atomic level by single-crystal X-ray diffraction. Moreover, owing to the site-isolated redox-active metal centers, readily accessible intrinsic cavity, and shape-persistent backbone, the Ni-metallated Pc (NiPc) cage exhibits high catalytic efficiency, selectivity, and stability, superior to the non-caged control molecules in electrocatalytic CO 2 RR.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Selective control of conductance modes in multi-terminal Josephson junctions

The Andreev bound state spectra of multi-terminal Josephson junctions form an artificial band structure, which is predicted to host tunable topological phases under certain conditions. However, the number of conductance modes between the terminals of a multi-terminal Josephson junction must be few in order for this spectrum to be experimentally accessible. In this work, we employ a quantum point contact geometry in three-terminal Josephson devices to demonstrate independent control of conductance modes between each pair of terminals and access to the single-mode regime coexistent with the presence of superconducting coupling. These results establish a full platform on which to realize tunable Andreev bound state spectra in multi-terminal Josephson junctions.

36 MATERIALS SCIENCE↗

Benchmarking the performance of a high-Q cavity qudit using random unitaries

High-coherence cavity resonators are excellent resources for encoding quantum information in higher-dimensional Hilbert spaces, moving beyond traditional qubit-based platforms. A natural strategy is to use the Fock basis to encode information in qudits. One can perform quantum operations on the cavity mode qudit by coupling the system to a non-linear ancillary transmon qubit. However, the performance of the cavity-transmon device is limited by the noisy transmons. It is, therefore, important to develop practical benchmarking tools for these qudit systems in an algorithm-agnostic manner. We gauge the performance of these qudit platforms using sampling tests such as the heavy output generation test as well as the linear cross-entropy benchmark, by way of simulations of such a system subject to realistic dominant noise channels. We use selective number-dependent arbitrary phase and unconditional displacement gates as our universal gateset. Our results show that contemporary transmons comfortably enable controlling a few tens of Fock levels of a cavity mode. This framework allows benchmarking even higher dimensional qudits as those become accessible with improved transmons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

System and method for controlling an energy beam of an additive manufacturing system

An additive manufacturing system includes an energy beam generator that generates an energy beam to melt and fuse raw materials for a part and a computing device that controls operation of the energy beam generator. The computing device includes a memory element that stores or access a three-dimensional model of the part, and a processing element that receives at least a portion of the three-dimensional model and controls a parameter of the energy beam generator according to a gradient function so as to apply a variable amount of heat to the raw material that forms an overhang on the part.

42 ENGINEERING↗

Performance Prediction of Big Data Transfer Through Experimental Analysis and Machine Learning

Big data transfer in next-generation scientific applications is now commonly carried out over connections with guaranteed bandwidth provisioned in High-performance Networks (HPNs) through advance bandwidth reservation. To use HPN resources efficiently, provisioning agents need to carefully schedule data transfer requests and allocate appropriate bandwidths. Such reserved bandwidths, if not fully utilized by the requesting user, could be simply wasted or cause extra overhead and complexity in management due to exclusive access. This calls for the capability of performance prediction to reserve bandwidth resources that match actual needs. Towards this goal, we employ machine learning algorithms to predict big data transfer performance based on extensive performance measurements, which are collected over a span of several years from a large number of data transfer tests using different protocols and toolkits between various end sites on several real-life physical or emulated HPN testbeds. We first identify a comprehensive list of attributes involved in a typical big data transfer process, including end host system configurations, network connection properties, and control parameters of data transfer methods. We then conduct an in-depth exploratory analysis of their impacts on application-level throughput, which provides insights into big data transfer performance and motivates the use of machine learning. We also investigate the applicability of machine learning algorithms and derive their general performance bounds for performance prediction of big data transfer in HPNs. Experimental results show that, with appropriate data preprocessing, the proposed machine learning-based approach achieves 95% or higher prediction accuracy in up to 90% of the cases with very noisy real-life performance measurements.

Yun, Daqing↗

Cybersecurity Considerations for Grid-Connected Batteries with Hardware Demonstrations

The share of renewable and distributed energy resources (DERs), like wind turbines, solar photovoltaics and grid-connected batteries, interconnected to the electric grid is rapidly increasing due to reduced costs, rising efficiency, and regulatory requirements aimed at incentivizing a lower-carbon electricity system. These distributed energy resources differ from traditional generation in many ways including the use of many smaller devices connected primarily (but not exclusively) to the distribution network, rather than few larger devices connected to the transmission network. DERs being installed today often include modern communication hardware like cellular modems and WiFi connectivity and, in addition, the inverters used to connect these resources to the grid are gaining increasingly complex capabilities, like providing voltage and frequency support or supporting microgrids. To perform these new functions safely, communications to the device and more complex controls are required. The distributed nature of DER devices combined with their network connectivity and complex controls interfaces present a larger potential attack surface for adversaries looking to create instability in power systems. To address this area of concern, the steps of a cyberattack on DERs have been studied, including the security of industrial protocols, the misuse of the DER interface, and the physical impacts. These different steps have not previously been tied together in practice and not specifically studied for grid-connected storage devices. In this work, we focus on grid-connected batteries. We explore the potential impacts of a cyberattack on a battery to power system stability, to the battery hardware, and on economics for various stakeholders. We then use real hardware to demonstrate end-to-end attack paths exist when security features are disabled or misconfigured. Our experimental focus is on control interface security and protocol security, with the initial assumption that an adversary has gained access to the network to which the device is connected. We provide real examples of the effectiveness of certain defenses. This work can be used to help utilities and other grid-connected battery owners and operators evaluate the severity of different threats and the effectiveness of defense strategies so they can effectively deploy and protect grid-connected storage devices.

25 ENERGY STORAGE↗

A data analytical approach for assessing the efficacy of Operational Technology active defenses against insider threats

In recent years, the need for Operational Technology (OT) defenses has been recognized, serving as an additional line of defense when Information Technology (IT) defenses are bypassed. This is no longer considered an uncommon possibility when dealing with advanced persistent threat (APT) actors expected to be state-sponsored and receiving insider assistance. In these extreme adversarial situations, OT defenses aim to provide another layer of defense for the system, introduced directly at the physical process level, as described by the sensors data, the system model, and control actions. Just like IT defenses, two schools of thought, i.e., passive and active defenses, have emerged to address this challenge. In active defenses, representing the focus of this paper, known signatures, synthesized based on the system's unique characteristics, are inserted into the system. In contradistinction, passive methods rely solely on observing system behavior in search of patterns of normal behavior with deviations thereof representing abnormal behavior. In their most sophisticated implementations, both passive and active defenses rely on the use of data analytics to identify the patterns and synthesize the observed and/or inserted signatures. Past research has shown that passive defenses may be bypassed by APT actors relying on data analytics and their intimate knowledge of the system to evade detection by respecting the patterns identified by the defenders. Here this manuscript explores the use of active defenses under the assumption that the attacker has privileged access to the system, including access to the system's model and sensors data. Specifically, this manuscript assesses the ability of active defenses to remain invisible to the attackers, and discusses the associated challenges that must be addressed to ensure their resiliency against APT actors.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Impact of Proton Activity on Fuel-Cell Performance (CRADA Final Report)

The key attribute that is being investigated is the dependence of the oxygen-reduction and hydrogen-oxidation reaction kinetics on proton activity. The influence of proton activity on the kinetics is also important in the determination of limiting factors that impact overall fuel-cell performance. At lower humidities, which are required to simplify fuel-cell water and thermal management (especially for higher-temperature operation) and enable next generation fuel cells, the ionomer water content will be different than that in today’s fuel cells. Such changes in water content directly impact the activity and concentration of protons. Thus, it is necessary to quantify this impact of proton activity on the reaction kinetics, and to determine means to mitigate any detrimental impacts to enable high performance. To realize the above goals of understanding the intrinsic interactions of proton activity on hydrogen-oxidation and oxygen-reduction kinetics, systematic investigations were carried out and a novel technique, a rapid microelectrode with environmental control, was realized. The experimental campaign at LBNL worked alongside that of TokyoTech and both were complemented by mathematical modeling of the key phenomena. The results demonstrated a robust method to analyze the kinetic behavior and an impact of proton activity, although greater delineation in terms of ion concentration versus activity was not obtained fully due in part to limited lab access during the COVID pandemic.

30 DIRECT ENERGY CONVERSION↗

Portable Industrial Control Systems Simulator (Final Report)

Industrial Control Systems (ICS) are more integrated than they have ever been before, but also the division between IT (Information Technology) and OT (Operational Technology) is becoming a grey area. As the integration of IT and OT occurs more often, cyber attack will also increase. Cyber attacks on Critical Infrastructure can be highly detrimental to society, notably via compromised Industrial Control Systems (ICS). Virtual and physical simulation has been used in medical fields, mathematics, architecture, aeronautics, space, and many more. Virtualization & Simulation in a lab environment is ideal because there is a need for the ability to test theories and designs is a safe and cost-effective way without risking equipment damage or, more importantly, human life. Furthermore, OT and ICS are some of the most difficult systems to use for research and development. They are either committed to operations or widely expensive to set up in a life-like environment. Virtualization and simulation will allow these otherwise accessible systems to be a test bed for the training, development, and research of SRNL customers or engineers and scientists at SRNL. This will allow the testbed to fit into a small form factor and interact with a simulator with minimum hardware components for easy transports and replication effort within the environment.

42 ENGINEERING↗

A critical review of cyber-physical security for building automation systems

Modern Building Automation Systems (BASs), as the brain that enable the smartness of a smart building, often require increased connectivity both among system components as well as with outside entities, such as the cloud, to enable low-cost remote management, optimized automation via outsourced cloud analytics, and increased building-grid integrations. As smart buildings move towards open communication technologies, providing access to BASs through the building's intranet, or even remotely through the Internet, has become a common practice. However, increased connectivity and accessibility come with increased cyber security threats. BASs were historically developed as closed environments with limited cyber-security considerations. As a result, BASs in many buildings are vulnerable to cyber-attacks that may cause adverse consequences, such as occupant discomfort, excessive energy usage, and unexpected equipment downtime. Therefore, there is a strong need to advance the state-of-the-art in cyber-physical security for BASs and provide practical solutions for attack mitigation in buildings. However, an inclusive and systematic review of BAS vulnerabilities, potential cyber-attacks with impact assessment, detection & defense approaches, and cyber resilient control strategies is currently lacking in the literature. This review paper fills the gap by providing a comprehensive up-to-date review of cyber-physical security for BASs at three levels in commercial buildings: management level, automation level, and field level. The general BASs vulnerabilities and protocol-specific vulnerabilities for the four dominant BAS protocols (i.e., BACnet, KNX, LonWorks, and Modbus) are reviewed, followed by a discussion on four attack targets and seven potential attack scenarios. Furthermore, the impact of cyber-attacks on BASs is summarized as signal corruption, signal delaying, and signal blocking. The typical cyber-attack detection and defense approaches are identified at the three levels. Cyber resilient control strategies for BASs under attack are categorized into passive and active resilient control schemes. Open challenges and future opportunities are finally discussed.

97 MATHEMATICS AND COMPUTING↗

Element- and enantiomer-selective visualization of molecular motion in real-time

Ultrafast optical-domain spectroscopies allow to monitor in real time the motion of nuclei in molecules. Achieving element-selectivity had to await the advent of time resolved X-ray spectroscopy, which is now commonly carried at X-ray free electron lasers. However, detecting light element that are commonly encountered in organic molecules, remained elusive due to the need to work under vacuum. Here, we present an impulsive stimulated Raman scattering (ISRS) pump/carbon K-edge absorption probe investigation, which allowed observation of the low-frequency vibrational modes involving specific selected carbon atoms in the Ibuprofen RS dimer. Remarkably, by controlling the probe light polarization we can preferentially access the enantiomer of the dimer to which the carbon atoms belong.

74 ATOMIC AND MOLECULAR PHYSICS↗

Quantum-enhanced detection of viral cDNA via luminescence resonance energy transfer using upconversion and gold nanoparticles

Abstract The COVID-19 pandemic has profoundly impacted global economies and healthcare systems, revealing critical vulnerabilities in both. In response, our study introduces a sensitive and highly specific detection method for cDNA, leveraging Luminescence Resonance Energy Transfer (LRET) between upconversion nanoparticles (UCNPs) and gold nanoparticles (AuNPs), and achieves a detection limit of 242 fM for SARS-CoV-2 cDNA. This innovative sensing platform utilizes UCNPs conjugated with one primer and AuNPs with another, targeting the 5′ and 3′ ends of the SARS-CoV-2 cDNA, respectively, enabling precise differentiation of mismatched cDNA sequences and significantly improving detection specificity. Through rigorous experimental analysis, we established a quenching efficiency range from 10.4 % to 73.6 %, with an optimal midpoint of 42 %, thereby demonstrating the superior sensitivity of our method. Our work uses SARS-CoV-2 cDNA as a model system to demonstrate the potential of our LRET-based detection method. This proof-of-concept study highlights the adaptability of our platform for future diagnostic applications. Instrumental validation confirms the synthesis and formation of AuNPs, addressing the need for experimental verification of the preparation of nanomaterial. Our comparative analysis with existing SARS-CoV-2 detection methods revealed that our approach provides a low detection limit and high specificity for target cDNA sequences, underscoring its potential for targeted COVID-19 diagnostics. This study demonstrates the superior sensitivity and adaptability of using UCNPs and AuNPs for cDNA detection, offering significant advances in rapid, accessible diagnostic technologies. Our method, characterized by its low detection limit and high precision, represents a critical step forward in developing next-generation biosensors for managing current and future viral outbreaks. By adjusting primer sequences, this platform can be tailored to detect other pathogens, contributing to the enhancement of global healthcare responsiveness and infectious disease control.

Esmaeili, Shahriar [Institute for Quantum Science ↗

Test and Evaluation of Radiofrequency Tamper Indicating Devices for Remote Monitoring of Advanced/Small Modular Reactors

Advanced and small modular reactors (A/SMRs), due to their versatile nature, are likely to be used in remote locations to provide electrical power or other services in regions that are difficult to access or have limited transportation infrastructure. This will result in limited on-site staff, therefore driving A/SMR vendors to consider remote monitoring as a solution to support nuclear security. Maintaining Continuity of Knowledge (CoK) of nuclear material quantities and locations is vital to nuclear security, and remote monitoring of active tamper indicating devices (TIDs) has been well established as a component of International Atomic Energy Agency (IAEA) Safeguards since the early 2000s. Active TIDs, such as radiofrequency TIDs (RFTIDs), immediately alarm upon unauthorized access attempts, promoting timely detection. In contrast, passive TIDs require a surveillance regime and offer delayed detection. Active TIDs deter insiders and enable prompt detection of malicious acts. They can be used on nuclear material containers and controlled entry points like vaults and toolboxes. Therefore, the implementation of RFTIDs into security programs bolsters overall nuclear material control, and provides a visible deterrent, with primary efficacy in mitigating the insider threat and potentially allowing for Security by Design considerations. They are a strong candidate technology for maintaining nuclear security of A/SMRs but need to be evaluated for feasibility and implementation into the wider physical protection system.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Automatic voltage regulation application for PV inverters in low-voltage distribution grids – A digital twin approach

This paper proposes a hierarchical coordinated control strategy for PV inverters to keep voltages in low-voltage (LV) distribution grids within specified limits. The top layer of the proposed architecture consists of the designed automatic voltage regulation (AVR) application, which has access to voltage measurements and grid parameters from the LV distribution grid, both current and historical. The AVR application solves a constrained optimization problem, which provides a set of local control set-points that bring the voltage across the grid within bounds. The middle layer consists of a local Volt/VAR controller, which is adjusted by the AVR app, while the bottom layer is the inner-loop controller of the PV inverter. The proposed method not only improves the voltage quality in the grid but also manages the reactive power outputs of PV inverters efficiently. Further, a digital twin of the cyber-physical system has also been employed that interacts with the control system to ensure its appropriate operation. The effectiveness of the proposed methodology is demonstrated on a representative low-voltage feeder located in Denmark.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Synthesis of End-Functionalized Poly(norbornenes) and Poly(ethylidene norbornenes) Using a Pd(II) Catalyst in Combination with Chain Transfer Agents

Synthesis of end-functionalized poly(norbornene)s (PNBs) and poly(ethylidenenorbornene)s (PENBs) were prepared using the palladium catalyst t Bu 3 PPdMeCl/NaBAr f in combination with chain transfer agents (CTAs) 4-penten-1-ol and 10-undecenal. These CTAs produce polymers end-capped with -OH and -CHO groups, respectively, in high yields with M n values in the range of 6K to 17K, depending on the molar ratio of the CTA: monomer. End-functionalized PNBs and PENBs with precisely controlled Mn values and very narrow molecular weight distributions were accessed by using 4-penten-1-ol and 10-undecenal as chain-terminating agents following living polymerizations in which monomer is completely consumed. The utility of the aldehyde-functionalized polymers is illustrated via coupling to a dye molecule and by synthesis of ambiphilic diblock copolymers, PNB-b-PEG and PENB-b-PEG.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗