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Protecting and Defending against Autonomous Control Systems and Digital Twin Cyber Attacks: Response Strategy for Hyperparameter attacks of Digital Twin Machine Learning Models in Nuclear Power Plants (Final)

Navigating through the complex tapestry of technological advancements, "Response Strategy for Hyperparameter attacks of Digital Twin Machine Learning Model in Nuclear Power Plants" stands at the intersection of cybersecurity and nuclear power plant operations, embarking on a journey through the intricacies of securing digital twins against malicious cyber activities. As nuclear power plants progressively integrate digital twin technology and machine learning models to optimize operations and ensure system reliability, they inadvertently expose themselves to a new spectrum of vulnerabilities, notably in the realm of hyperparameter attacks. Hyperparameters, integral in machine learning model tuning and optimal performance of digital twins, have emerged as a target for adversaries aiming to destabilize the predictive capabilities and therefore, the operational accuracy of these digital entities within critical infrastructures like nuclear plants. This paper, therefore, meticulously threads the needle through the development of a robust response strategy, poised to shield these digital reflections against calculated hyperparameter manipulations, ensuring that the digital twin can effectively and securely function as a reliable proxy for its physical counterpart. The ensuing sections delve into the orchestrated maelstrom of multi-rate time-changing intelligent coordinated hyperparameter attacks and the implementation of event-triggered predictive control, laying down a structured, predictive, and responsive framework that safeguards the nexus where the digital and physical realms of nuclear power plants coalesce. The operational integrity of digital twins in nuclear power plants depends critically on the security of machine learning hyperparameters. This study makes two different contributions. First, a decision-based idea known as a multi-rate time changing intelligent coordinated hyperparameter attack is put forth. In this attack, many hyperparameters are repeatedly changed using both random and intelligent optimal techniques by the attacker. These assaults introduce varied rates at different attack steps, compromise various amounts of hyperparameters, and improve stealth and flexibility. Second, a technique is developed for event triggered predictive control to rapidly respond to potential hyperparameter attacks. This control integrates a sliding window framework, retaining a history of previous data points and employing linear regression to predict the next data point from the current dataset. The control gain K is determined using the Lyapunov-Krasovskii method, and subsequently, an action is developed. Finally, the outcome of the simulation demonstrates the viability of the proposed method for defending nuclear power plant digital twins from hyperparameter attacks.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Novel 2D velocity estimation method for large transient events in plasmas

Dynamics of fast transient events are challenging to be analyzed with high time resolution. Such events can occur in fusion plasmas such as the filaments during edge-localized modes (ELMs). Here, we present a robust method—the spatial displacement estimation—for estimating the displacements of structures with fast dynamics from high spatial and time resolution imaging diagnostics [e.g., gas-puff imaging (GPI)] with sampling time temporal resolution. First, a background suppression method is shown, which suppresses the slowly time-evolving and spatially non-uniform background in the signal. In the second step, a two-dimensional polynomial trend subtraction method is presented to tackle the remaining polynomial order trend in the signal. After performing these pre-processing steps, the spatial displacement of the propagating structure is estimated from the two-dimensional spatial cross-correlation coefficient function calculated between consecutive frames. The method is tested for its robustness and accuracy by simulated Gaussian events and spatially displaced random noise. An example application of the method is presented on propagating ELM filaments measured by the GPI system on the National Spherical Torus Experiment spherical tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Local modeling for FRF estimation with noisy input measurements

The frequency response function (FRF) is an essential means by which dynamic systems are qualified. In recent years, local modeling approaches have been extensively researched and shown to significantly outperform traditional FRF estimators. However, the standard local modeling approach assumes a perfectly-known system input, which results in biased FRF estimates in the presence of input noise. This paper derives a simple adjustment that can be used to improve FRF estimation for systems subjected to random excitation with noisy input data. This improvement can be implemented with little modification to standard local modeling algorithms and with little additional computational burden. The adjustment is coupled with a model selection procedure to avoid underfitting and overfitting. In conclusion, the methods presented in this paper are validated on a simulation, and they are shown to reduce bias due to input noise.

47 OTHER INSTRUMENTATION↗

Deep material network via a quilting strategy: visualization for explainability and recursive training for improved accuracy

Recent developments integrating micromechanics and neural networks offer promising paths for rapid predictions of the response of heterogeneous materials with similar accuracy as direct numerical simulations. The deep material network is one such approaches, featuring a multi-layer network and micromechanics building blocks trained on anisotropic linear elastic properties. Once trained, the network acts as a reduced-order model, which can extrapolate the material’s behavior to more general constitutive laws, including nonlinear behaviors, without the need to be retrained. However, current training methods initialize network parameters randomly, incurring inevitable training and calibration errors. Here, we introduce a way to visualize the network parameters as an analogous unit cell and use this visualization to “quilt” patches of shallower networks to initialize deeper networks for a recursive training strategy. The result is an improvement in the accuracy and calibration performance of the network and an intuitive visual representation of the network for better explainability.

97 MATHEMATICS AND COMPUTING↗

Role of Amorphous Chains in Nanoplastic Formation from Semicrystalline Polymers

Semicrystalline polymers, e.g., polyethylene terephthalate (PET), release micro- (100 nm to 1 mm) and nanoplastics (up to 100 nm) [MNPL] when they are degraded under quiescent conditions. However, the exact molecular mechanisms leading to material fragmentation into MNPL are unknown. Here, we monitor the evolution of chain molecular weight and the MNPL production kinetics during hydrolysis of PET pellets. We find that only ~0.6% of the amorphous phase ester bonds are hydrolyzed at the onset of MNPL release. Then, by combining a random scission model with measured amorphous spacings, we estimate that only ~15% of the stress transmitters in the amorphous phase, namely, bridges and entangled loops, have failed by this point. Thus, spontaneous fragmentation of the semicrystalline nanostructure occurs despite significant intercrystalline connectivity. We resolve this apparent contradiction by proposing that fragmentation can only occur when progressive tie-chain scission causes the material to undergo the ductile/brittle transition. Mechanistically, we speculate that the internal stresses responsible for material fragmentation are caused by processing (i.e., residual stresses) and/or sample densification induced by chemi-crystallization. We discuss additional factors that may affect our analysis and thus require further investigation, such as skin-core effects, preferential degradation of stress transmitters and/or recrystallization processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CRAGE-RB-PI-seq reveals transcriptional dynamics of plant-associated bacteria during root colonization

Plant roots release a wide array of metabolites into the rhizosphere, shaping microbial communities and their functions. While metagenomics has expanded our understanding of these communities, little is known about the physiology of their members in host environments. Transcriptome analysis via RNA sequencing is a common approach to learning more, but its use has been challenging because of low bacterial biomass and interference from plant RNA. To overcome this, we developed a randomly-barcoded promoter-library insertion sequencing (RB-PI-seq) combined with chassis-independent recombinase-assisted genome engineering (CRAGE). Using Pseudomonas simiae WCS417 as a model rhizobacterium, this method enabled targeted amplification of barcoded transcripts, bypassing plant RNA interference and allowing measurement of thousands of promoter activities during Arabidopsis root colonization. Our analysis revealed temporally resolved transcriptional regulation, including those associated with cell growth, chemotaxis, plant immune suppression, biofilm formation, and stress responses, reflecting the coordinated physiological adaptation to the root environment. Additionally, we discovered that transcriptional activation of xanthine dehydrogenase and a lysozyme inhibitor is crucial for evading plant immune systems. This framework is scalable to other bacterial species and provides new opportunities for understanding rhizobacterial gene regulation in native environments.

59 BASIC BIOLOGICAL SCIENCES↗

Uncertainty bounds for multivariate machine learning predictions on high-strain brittle fracture

Simulation of the crack network evolution on high strain rate impact experiments performed in brittle materials is very compute-intensive. The cost increases even more if multiple simulations are needed to account for the randomness in crack length, location, and orientation, which is inherently found in real-world materials. Constructing a machine learning emulator can make the process faster by orders of magnitude. There has been little work, however, on assessing the error associated with their predictions. Estimating these errors is imperative for meaningful overall uncertainty quantification. In this work, we extend the heteroscedastic uncertainty estimates to bound a multiple output machine learning emulator. Overall, we find that the response prediction is accurate within its predicted errors, but with a somewhat conservative estimate of uncertainty.

36 MATERIALS SCIENCE↗

A predictive discrete-continuum multiscale model of plasticity with quantified uncertainty

Multiscale models of materials, consisting of upscaling discrete simulations to continuum models, are unique in their capability to simulate complex materials behavior. The fundamental limitation in multiscale models is the presence of uncertainty in the computational predictions delivered by them. In this work, a sequential multiscale model has been developed, incorporating discrete dislocation dynamics (DDD) simulations and a strain gradient plasticity (SGP) model to predict the size effect in plastic deformations of metallic micro-pillars. The DDD simulations include uniaxial compression of micro-pillars with different sizes and over a wide range of initial dislocation densities and spatial distributions of dislocations. An SGP model is employed at the continuum level that accounts for the size-dependency of flow stress and hardening rate. Sequences of uncertainty analyses have been performed to assess the predictive capability of the multiscale model. The variance-based global sensitivity analysis determines the effect of parameter uncertainty on the SGP model prediction. The multiscale model is then constructed by calibrating the continuum model using the data furnished by the DDD simulations. A Bayesian calibration method is implemented to quantify the uncertainty due to microstructural randomness in discrete dislocation simulations (density and spatial distribution of dislocations) on the macroscopic continuum model prediction (size effect in plastic deformation). Here, the outcomes of this study indicate that the discrete-continuum multiscale model can accurately simulate the plastic deformation of micro-pillars, despite the significant uncertainty in the DDD results. Additionally, depending on the macroscopic features represented by the DDD simulations, the SGP model can reliably predict the size effect in plasticity responses of the micropillars with below 10% of error.

36 MATERIALS SCIENCE↗

Smooth periodic gauge satisfying crystal symmetry and periodicity to study high-harmonic generation in solids

Intense lasers can easily drive nonadiabatic transitions of excited electron wave packets across the Brillouin zones, thus transition dipole moments (TDM) between energy bands of solids should be continuous, satisfying crystal symmetry, and periodic at zone boundaries. While current ab initio algorithms are powerful in calculating band structures of solids, they all introduced random phases into the eigenfunctions at each crystal momentum k. In this work, we show how to choose a “smooth-periodic” gauge where TDMs can be smooth versus k, preserving crystal symmetry, as well as maintaining periodic at boundaries. The symmetry properties of TDMs with respect to k ensure the absence of even-order harmonics from MgO with inversion symmetry, while the TDM in the “smooth-periodic” gauge for broken-symmetry ZnO is responsible for even harmonics that were underestimated in previous simulations. These results reveal the importance of correctly treating the complex TDMs that satisfy crystal symmetry and continuous across zone boundaries in nonlinear laser-solid interactions, which has been elusive in most theories so far.

36 MATERIALS SCIENCE↗

New Capability at ORNL: High Precision Uranium Titration

Destructive analytical measurements establish a nuclear facility’s nuclear material inventory and inventory differences for Nuclear Material Accountancy and Control. A nuclear laboratory’s ability to perform accurate high-precision analytical measurements is key for tracking large inventories within a facility’s material balance areas and during production to track material movement through dynamic processes. For uranium, these measurements are made by using several established high-precision measurement protocols. These include isotope dilution mass spectrometry, gravimetry, and potentiometric titrations. Whatever measurement technique a nuclear lab chooses to use, reference materials (RMs) with certified attributes and accompanying uncertainties are used to calibrate measurement systems, and are the cornerstone for accurate results. In addition to calibration, RMs provide for metrological traceability, are used for method development and validation, and thus provide critical evaluations of the appropriateness and performance of analytical processes used. Evaluations may include validation that a method is fit-for-purpose, quantification of systematic and random biases, and the evaluation of long-term and short-term performance metrics. High-precision measurement techniques require that measured attributes be certified to a high degree of precision in the RMs used—ultimately, to a higher degree than that of the measurement technique itself. The US authority on the production of special nuclear material Certified Reference Materials is the NBL Program Office (NBLPO), formally known as New Brunswick Laboratory (NBL). The NBLPO is responsible for the sales and distribution of existing NBL certified reference materials (CRMs) and for the production of the next generation of nuclear RMs. To accomplish its mission, NBLPO is establishing key base capabilities within the DOE laboratory complex that formerly existed at the NBL laboratory. The Nuclear Analytical Chemistry (NAC) section within the Chemical Sciences Division (CSD) at Oak Ridge National Laboratory (ORNL) is currently working with NBLPO to set up laboratory and measurement capabilities to provide measurements and capabilities for production and/or recertification of existing and future CRMs for uranium assay. The NBL-developed high-precision titration (HPT) method is a critically-evaluated, extremely precise and accurate primary method utilized for the determination of uranium content in a variety of uranium materials. The HPT method, combined with detailed balance weighing protocols, provides for an analytical methodology that is unsurpassed in precision and one in which all sources of error have been evaluated, a requirement of CRM certification. HPT capability within the United States was lost with the closure of the labs at NBL. The NAC has been collaborating with NBLPO to stand up and demonstrate the capability to perform uranium assay via HPT at ORNL. HPT can produce results with an expanded uncertainty of approximately 0.01% for pure uranium compounds, with typical precisions of <0.006%. The major tasks required to stand up the method at ORNL were the refurbishment of a dedicated lab and equipment setup, procedure development, analyst training, establishing method-specific quality assurance, and qualification of an analyst to perform the method. This report summarizes these tasks, outlines the documents drafted, and gives the outcome of the qualification titrations.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Genome-wide identification of novel flagellar motility genes in Pseudomonas syringae pv. tomato DC3000

Pseudomonas syringaepv.tomatoDC3000 (PstDC3000) is a plant pathogenic bacterium that possesses complicated motility regulation pathways including a typical chemotaxis system. A significant portion of our understanding about the genes functioning inPstDC3000 motility is based on comparison to other bacteria. This leaves uncertainty about whether gene functions are conserved, especially since specific regulatory modules can have opposite functions in sets ofPseudomonas. In this study, we used a competitive selection to enrich for mutants with altered swimming motility and used random barcode transposon-site sequencing (RB-TnSeq) to identify genes with significant roles in swimming motility. Besides many of the known or predicted chemotaxis and motility genes, our method identified PSPTO_0406 (dipA), PSPTO_1042 (chrR) and PSPTO_4229 (hypothetical protein) as novel motility regulators. PSPTO_0406 is a homolog ofdipA, a known cyclic di-GMP degrading enzyme inP. aeruginosa. PSPTO_1042 is part of an extracytoplasmic sensing system that controls gene expression in response to reactive oxygen species, suggesting that PSPTO_1042 may function as part of a mechanism that enablesPstDC3000 to alter motility when encountering oxidative stressors. PSPTO_4229 encodes a protein containing an HD-related output domain (HDOD), but with no previously identified functions. We found that deletion and overexpression of PSPTO_4229 both reduce swimming motility, suggesting that its function is sensitive to expression level. We used the overexpression phenotype to screen for nonsense and missense mutants of PSPTO_4229 that no longer reduce swimming motility and found a pair of conserved arginine residues that are necessary for motility suppression. Together these results provide a global perspective on regulatory and structural genes controlling flagellar motility inPstDC3000.

Microbiology↗

Shared Use Travel Behavior for Improving Rural Mobility: Insights from Greene County, Pennsylvania

Rural communities are considered disadvantaged communities as they suffer from a lack of transport options. Thus, rural regionsprovide less accessibility for commuters to reach their destination as opposed to urban regions. However, the issues of transport disadvantageand shared use mobility in rural areas within the United States (US) have not been well investigated. Furthermore, transport disadvantagediffers between communities and regions across the globe; thus, there is a need to study the behavioral choices of rural commuters within theUS context. This study contributes by analyzing the behavioral choices of rural communities within the US through a case study site ofWaynesburg, Pennsylvania, for adopting a shared use shuttle service. K-means clusters showed that trips from the survey data were a goodrepresentation of real trips from Ecolane. Furthermore, random parameter-based binary logit models were calibrated using data collected fromstudents, faculty, and residents in Waynesburg, Greene County, to study the behavioral choices of commuters. The findings for the faculty andstudents group revealed that prior experience with shared services increases the likelihood of using a shared shuttle. An important personalcharacteristic of inconvenience showed a higher propensity toward using existing modes as opposed to a shared shuttle. Such commutersvalue personal vehicles as more convenient as they have childcare responsibilities and varying schedules for work that require them to moveback and forth across locations, thus making a shared shuttle less attractive for them. The socioeconomic factors of age and gender show ahigher propensity for using shared shuttles. Furthermore, the findings from this study could be helpful for agencies in improving rural mobility andconsidering such shared mobility services for rural communities

42 ENGINEERING↗

Modeling Coupled Chemo-Mechanical Behavior of Randomly Oriented NMC811 Polycrystalline Li-Ion Battery Cathodes

This paper develops a three-dimensional, transient, chemo-mechanical model that predicts the performance of single secondary particle Li-ion battery cathodes. The secondary particles are composed of numerous (approximately 60) randomly oriented single-crystal primary particles. The model incorporates concentration-dependent and anisotropic material properties. As much as possible, electrochemical, transport, and structural properties for crystalline NMC811 (Li x Ni 0.8 Mn 0.1 Co 0.1 O 2 ) are taken from prior publications. Weak Van der Waals bonding between primary particles is modeled empirically using a spring analogy, which enables local primary-particle separations (disintegration) and subsequent reattachments. The model fully couples Li diffusion and the mechanical response. Results include predictions of local Li-concentrations and stresses. High stresses are found near grain boundaries, especially when the lattice orientations are greatly misaligned. Particle separations are characterized in terms of a damage parameter. The model is used to predict the effects of design and operating conditions, including charge/discharge rates, cycling scenarios, and particle sizes.

25 ENERGY STORAGE↗

Probabilistic Assessment of Structural Integrity

A probability-based approach, combining deterministic and probabilistic methods, was developed for analyzing building and component failures, which are especially crucial for complex structures like nuclear power plants. This method links finite element and probabilistic software to assess structural integrity under static and dynamic loads. This study uses NEPTUNE software, which is validated, for a deterministic transient analysis and ProFES software for probabilistic models. In a case study, deterministic analyses with varied random variables were transferred to ProFES for probabilistic analyses of piping failure and wall damage. A Monte Carlo Simulation, First-Order Reliability Method, and combined methods were employed for probabilistic analyses under severe transient loading, focusing on a postulated accident at the Ignalina Nuclear Power Plant. The study considered uncertainties in material properties, component geometry, and loads. The results showed the Monte Carlo Simulation method to be conservative for high failure probabilities but less so for low probabilities. The Response Surface/Monte Carlo Simulation method explored the impact load–failure probability relationship. Given the uncertainties in material properties and loads in complex structures, a deterministic analysis alone is insufficient. Probabilistic analysis is imperative for extreme loading events and credible structural safety evaluations.

Mathematics↗

Photochemical micromotor of eccentric core in isotropic hollow shell exhibiting multimodal motion behavior

Adaptive motion behavior in response to different environmental stimuli is ubiquitous in biology and enables creatures to achieve a diversity of complex tasks, but not typically observed in synthetic systems. In this report we propose a design of chemically-powered micromotors actively performing multimodal motion behaviors with the external stimulus changing. They have isotropic outer surfaces but inherent inner mass asymmetry, such as eccentric core-in-hollow shell TiO 2 (E-TiO 2 ) microspheres. Their motion behavior can be spontaneously transformed among random Brownian propulsion (stochastic walk), negative phototaxis (moving against incident light), and negative photogravitaxis (moving against gravity) when the light intensity, illumination direction, or fuel concentration change. At a low light intensity and/or low H 2 O 2 fuel concentration, the E-TiO 2 micromotors perform directional movement away from light based on the dominated diffusiophoresis by the photocatalytic reaction over the isotropic shell. With the increase of light intensity or fuel concentration, there are more and more photons or fuels to reach the eccentric core and the contribution of the photocatalytic reaction over it to the diffusiophoresis gradually becomes dominant. In this case, the E-TiO 2 micromotors perform stochastic walks near the substrate due to their Brownian random rotational reorientations. The micromotors are single component, have low density, and can be synthesized in a large scale and at a low cost. This work will facilitate the development of multifunctional micro/nanomotors with varying behaviors and functions depending on environmental cues, e.g., enabling efficient search and delivery operations.

36 MATERIALS SCIENCE↗

Post-extreme-event restoration using linear topological constraints and DER scheduling to enhance distribution system resilience

In this paper, a post-extreme-event restoration (PEER) algorithm is proposed to improve distribution system resilience. Linear topological constraints are proposed to ensure radial topology after N-k contingencies, possibly in multiple islands. The approach is made comprehensive by considering dispatchable distributed energy resources (DERs), non-dispatchable DERs, and demand responses, as well as on-load tap changers (OLTCs) and shunt capacitors. The goal is to minimize the accumulative expense caused by load reduction payment or penalty, as well as DER operation cost. As a result, the overall system will survive longer with higher resilience during an extreme event. To verify the effectiveness of the PEER algorithm, we proposed a resilience evaluation algorithm using Monte Carlo simulation (MCS) with reduced scenarios. This is based on a probabilistic model for generating random scenarios which consider the uncertainty of line faults and solar irradiance. Combined with the proposed PEER algorithm, this reduced-scenario MCS can evaluate the expected energy not served (EENS) which is an essential index for distribution system resilience. Case studies of the IEEE 33-bus and 123-bus test systems validate the proposed algorithm in reducing EENS.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Differentially Private Map Matching (DPMM) v1.0

Human mobility trajectories provide valuable information for developing mobility applications, as they contain diverse and rich information about the users. User mobility data is valuable for various applications such as intelligent transportation systems (ITS), commercial business models, and disease-spread models. However, such spatio-temporal traces may pose a threat to user privacy. GPS trajectories in their raw form are not suitable for transportation studies, as they require matching locations with nearest road links — a process called map-matching. This software implements a differential privacy (DP)-based map-matching algorithm, called DPMM, that generates link-level location trajectories in a privacy-preserving manner to protect users' origin destinations (OD) and travel paths. OD privacy is achieved by injecting Planar Laplace noise to the user OD GPS points. Travel-path privacy is provided with randomized travel path construction using exponential DP mechanism. The injected noise level is selected adaptively, by considering the link density of the location and the functional category of the localized links. For path privacy, our mechanism samples waypoints and selects candidate paths between waypoints. DPMM provides privacy effectively with respect to link density instead of other trajectory samples in the database compared to other privacy mechanisms. Compared to the different baseline models our DP-based privacy model offers closer query responses to the raw data in terms of individual and aggregate trajectory-level statistics with an average at absolute deviation from the baseline for individual statistics on ϵ = 1.0. Beyond individual trajectory statistics, the DPMM outperforms the other benchmark DP-based mechanisms on different aggregate statistics with up to 8x improvement in utility.

Peisert, Sean [Lawrence Berkeley National Laborato↗

Label Assist: Personalized Travel Models for Longitudinal Data Collection

Understanding travel behavior is crucial to transportation decarbonization. OpenPATH is an open-source mobility platform which collects and analyzes human travel behavior at the individual level. The mobile application passively senses trips and prompts users to label them. However, users find the labeling process burdensome; less than half the trips are typically labeled, making much of the data unusable in aggregate analyses of mobility patterns. Prior work has addressed the response fatigue challenge through automated mode inference using sensor data, but sensors cannot capture all aspects of travel behavior. We explore an alternative approach in which we leverage prior user input to predict travel choices in novel trips. We first explore trip clustering methods and develop a novel two-step pipeline using DBSCAN and SVMs to extract realistic geospatial clusters. We then propose two strategies to predict trip labels: (i) clustering trips and extrapolating labels for similar trips, and (ii) random forest classification. The random forest approach is able to achieve - $70-80% accuracy (purpose: 72%, mode: 79%, replaced mode: 81%). These novel approaches to trip classification allow us to increase the rate of user labeling by suggesting predicted labels to be verified by the user. Unlabeled trips can also contribute to aggregate analyses, using label predictions and their associated confidences as a substitute. While there exist other travel survey apps with the ability to infer travel choices, to our knowledge, this is the first paper to describe such a supervised system and rigorously evaluate it.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗