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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Enhancing Smart Home Privacy: A Tutorial on Local Differential Privacy Techniques for Frequency and Mean Estimation

The ubiquity of Internet of Things (IoT) systems has seamlessly integrated into our daily lives, particularly in smart homes where devices continuously monitor and optimize our living environments. These systems significantly contribute to home automation, energy efficiency, and overall comfort. However, this widespread connectivity poses inherent risks linked to the streaming of sensitive household data, necessitating robust privacy preservation mechanisms. This tutorial systematically examines privacy preservation through local differential privacy (LDP), with a particular focus on frequency and mean estimation techniques for smart home applications. Here, we present a comprehensive taxonomy of smart home data formats and provide detailed implementation guidance for event-based and w-event LDP mechanisms. Through practical examples using smart thermostats and HVAC systems, we demonstrate how these techniques can be effectively deployed in real-world scenarios. The tutorial concludes by examining emerging research directions, including adaptive privacy budgets and federated learning approaches, establishing a foundation for privacy-preserving smart home deployments.

Kotevska, Olivera [Oak Ridge National Laboratory (↗
DOE OSTI2024

Automated Calibration for Rapid Optical Spectroscopy Sensor Development for Online Monitoring

An automated platform has been developed to assist researchers in the rapid development of optical spectroscopy sensors to quantify species from spectral data. This platform performs calibration and validation measurements simultaneously. Real-time, in situ monitoring of complex systems through optical spectroscopy has been shown to be a useful tool; however, building calibration models requires development time, which can be a limiting factor in the case of radiological or otherwise hazardous systems. While calibration time can be reduced through optimized design of experiments, this study approached the challenge differently through automation. The ATLAS (Automated Transient Learning for Applied Sensors) platform used pneumatic control of stock solutions to cycle flow profiles through desired calibration concentrations for multivariate model construction. Additionally, the transients between desired concentrations based on flow calculations were used as validation measurements to understand model predictive capabilities. This automated approach yielded an incredible 76% reduction in model development time and a 60% reduction in sample volume versus estimated manual sample preparation and static measurements. The ATLAS system was demonstrated on two systems: a three-lanthanide system with Pr/Nd/Ho representing a use case with significant overlap or interference between analyte signatures and an alternate system containing Pr/Nd/Ni to demonstrate a use case in which broad-band corrosion species signatures interfered with more distinct lanthanide absorbance profiles. Both systems resulted in strong model prediction performance (RMSEP < 9%). Lastly, ATLAS was demonstrated as a tool to simulate process monitoring scenarios (e.g., column separation) in which models can be further optimized to account for day-to-day changes as necessary (e.g., baseline correction). Ultimately, ATLAS offers a vital tool to rapidly screen monitoring methods, investigate sensor fusion, and explore more complex systems (i.e., larger numbers of species).

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Microreactor Program Technology Maturation MACS system reports

This submission contains several reports associated with the DOE Microreactor Program Technology Maturation MACS system. These include milestone reports: M3AT-24IN0804031-Optimized MACS architecture M3AT-24IN0804033-Light and temp sensor integration M4AT-23IN0804055-Update Microreactor Automated Control System (MACS) hardware based on input from demonstration M2AT-23IN0804054-Demonstrate actuation of control system using Microreactor Automated Control System (MACS)

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2023

High-throughput mass spectrometry analysis using immediate drop-on-demand technology coupled with an open port sampling interface

Rationale: The sampling throughput of immediate drop-on-demand technology (I.DOT) coupled with an open port sampling interface (OPSI) is limited by software communication. To enable much-needed high-throughput mass spectrometry (MS) analysis capabilities, a novel software was developed that allows for flexible sample selection from a 96-well plate and for maximized analysis throughput using I.DOT/OPSI-MS coupling. Methods: Wells of a 96-well I.DOT plate were filled with propranolol solution and were used to test maximum sampling throughput strategies to minimize analysis time. Demonstration of chemical reaction monitoring was done using acid-catalyzed ring closure of 2,3-diaminonaphthalene (DAN) with nitrite to form 2,3-naphthotriazole (NAT). Analytes were detected in positive electrospray ionization mode using selected reaction monitoring. Results: A maximum throughput of 1.54 s/sample (7.41 min/96-well plate with three technical replicates) was achieved, and it was limited by the peak width of the MS signal resulting in an occasional slight overlap between the peaks. Further, relative standard deviation was 10 ± 1% with all tested sampling strategies. Chemical reaction monitoring of DAN to NAT using nitrite was successfully accomplished with 2 s/sample throughout showing almost complete transformation in 10 min with no signal overlap. Conclusions: This work illustrates the development of a noncontact, automated I.DOT/OPSI-MS system with improved throughput achieved through an optimized software interface. Its achievable analysis time and precision make it a viable approach for drug discovery and in situ reaction monitoring studies.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Enhancing Monte Carlo Workflows for Nuclear Reactor Analysis with Metamodel-Driven Modeling

Monte Carlo codes are essential components of many reactor physics simulation workflows as high-fidelity continuous-energy neutron transport solvers. Among Monte Carlo radiation transport codes, MCNP is particularly notable due to its diverse simulation capabilities, large user base, and long validation history. Despite being a powerful simulation tool, MCNP provides limited capabilities to allow automated execution, model transformation, or support for user-defined logic and abstractions that limit its compatibility with modern workflows. Here, to better integrate MCNP into a modern scientific workflow, we have developed an intuitive yet full-featured MCNP Application Program Interface (API) in Python, named MCNPy, which provides a specialized set of classes for MCNP input development. Moreover, to guarantee that our reading, writing, and modeling capabilities remain self-consistent (and to render the huge scope of the MCNP API manageable), we have adopted a strategy of model-driven software development in which a generalized model of the MCNP input format has been created. From this generalized model, or “metamodel,” problem-specific implementations such as an engine for input validation or a codebase for programmatic operations may be automatically generated. Since MCNPy primarily acts as a Python front-end to the underlying Java API that directly interfaces with the metamodel, it is intrinsically linked to the metamodel and thus remains maintainable. With MCNPy, users can programmatically read, write, and modify any syntactically valid MCNP input file regardless of its origin. These capabilities allow users to automate complicated tasks like design optimization and model translation for nuclear systems. As examples, this work demonstrates the use of MCNPy to find the critical radius of a plutonium sphere and to translate a 9000+ line MCNP input file into a corresponding OpenMC model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Autonomous Synthesis of Thin Film Materials with Pulsed Laser Deposition Enabled by In Situ Spectroscopy and Automation

Autonomous systems that combine synthesis, characterization, and artificial intelligence can greatly accelerate the discovery and optimization of materials, however platforms for growth of macroscale thin films by physical vapor deposition techniques have lagged far behind others. Here this study demonstrates autonomous synthesis by pulsed laser deposition (PLD), a highly versatile synthesis technique, in the growth of ultrathin WSe 2 films. Further, by combing the automation of PLD synthesis and in situ diagnostic feedback with a high-throughput methodology, this study demonstrates a workflow and platform which uses Gaussian process regression and Bayesian optimization to autonomously identify growth regimes for WSe 2 films based on Raman spectral criteria by efficiently sampling 0.25% of the chosen 4D parameter space. With throughputs at least 10x faster than traditional PLD workflows, this platform and workflow enables the accelerated discovery and autonomous optimization of the vast number of materials that can be synthesized by PLD.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Overall chilled water system energy consumption modeling and optimization

The emergence of increasingly affordable variable-speed drive technology has changed the approach used to control chilled water systems equipped with these drives. The purpose of this research was to develop an integrated chilled water modeling technique that can determine the optimal system setpoints and estimate the energy saving potential of chiller system. The chiller system equipped with Variable Frequency Drives (VFDs) on cooling tower fans and condenser water pumps. To accomplish the objective, physical component models of the centrifugal chiller, cooling tower and condenser water pump were established with the goal of incorporating the system’s condenser water flow rate and cooling tower fan speeds as optimization variables. Furthermore, a cooling load prediction algorithm was developed using a multiple non-linear regression model to approximate the building’s cooling load subject to a range of environmental conditions. The inputs and outputs of the individual component models were linked to estimate how adjusting the cooling tower fan and condenser water pump speed would influence the system’s comprehensive performance. Here, the overall system model was then optimized using a generalized reduced gradient optimization algorithm to determine the potential energy savings through speed control with VFDs and to ascertain a control logic strategy for the building automation system to operate the heating and cooling system. A case-study was performed on a single chiller system at a museum and the model was calibrated according to logged data collected over four months. Results showed that for the system analyzed, the energy saving of optimizing the cooling tower fan system was found to be 12–15%, while the energy saving potential of optimizing the condenser water pump with the cooling tower fan was negligible. Additionally, comparing different cooling tower fan control strategies showed that a wet-bulb approach-based cooling tower control strategy was shown to have the highest correlation to the optimized fan speed with an R 2 of 0.924.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

A Multi-Objective Bayesian Optimized Human Assessed Multi-Target Generated Spectral Recommender System for Rapid Pareto Discoveries of Material Properties

Optimization for different tasks like material characterization, synthesis, and functional properties for desired applications over multi-dimensional control parameter and function spaces need a rapid strategic search through active learning. However, in all cases prior to optimization, the target material properties are assumed known and fixed, which mostly deviates from real-world scenarios in material synthesis. This can be critical for running expensive experiments on new materials, when the experimental results are fuzzy for any scientific outcomes due to improper target setting, ultimately wasting time and cost. The failure rate and cost are even higher over exploring on multi-target space, where we want to learn the pareto among multiple properties, to jointly optimize during material synthesis for desired applications. To address the challenge, here we introduce the human-operator attempt flexibility in the active learning based automated experiment framework, with generating multiple human assessed targets through a voting-based recommender system during real-time microscope measurements over the large material image space, sequentially learn/update multiple desired targets through a weighting system, and adaptively search in multiple material properties functional space for non-dominated pareto discoveries to maximize the custom structural similarity based acquisition function. We term this a multi-objective Bayesian optimized human assessed multi-target generated spectral recommender systems (MOBO-HAM-SRS). The approach has been demonstrated to peizoresponse force spectroscopy of a ferroelectric thin film, exploring with different kernels and acquisition functions. This work shows an advancement towards human-AI collaborated automated experiments, steering optimization trajectories through human overpowering AI at the early stage when uncertainty is high and AI overpowering human at the later stage with rapid exploration towards optimal goal, following human-assessed multiple targets properties.

Biswas, Arpan↗
DOE OSTI2023

Automated Adversary-in-the-Loop Cyber-Physical Defense Planning

Security of cyber-physical systems (CPS) continues to pose new challenges due to the tight integration and operational complexity of the cyber and physical components. To address these challenges, this article presents a domain-aware, optimization-based approach to determine an effective defense strategy for CPS in an automated fashion—by emulating a strategic adversary in the loop that exploits system vulnerabilities, interconnection of the CPS, and the dynamics of the physical components. Our approach builds on an adversarial decision-making model based on a Markov Decision Process (MDP) that determines the optimal cyber (discrete) and physical (continuous) attack actions over a CPS attack graph. The defense planning problem is modeled as a non-zero-sum game between the adversary and defender. We use a model-free reinforcement learning method to solve the adversary’s problem as a function of the defense strategy. We then employ Bayesian optimization (BO) to find an approximate best-response for the defender to harden the network against the resulting adversary policy. This process is iterated multiple times to improve the strategy for both players. We demonstrate the effectiveness of our approach on a ransomware-inspired graph with a smart building system as the physical process. Numerical studies show that our method converges to a Nash equilibrium for various defender-specific costs of network hardening.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Optimization-based approaches to control of connected and automated vehicles: Principles, complexities, applications, challenges, and outlook

Safe and optimal motion control for connected and automated vehicles (CAVs) poses a fundamental optimization challenge at the intersection of system complexity, environmental uncertainty, and stringent real-time constraints. Existing surveys address this challenge in isolation – focusing either on specific control techniques or individual uncertainty sources – without providing a unified framework that characterizes the trade-offs among computational tractability, performance verifiability, and adaptive generalization across paradigms. This review addresses that gap by presenting a cohesive analytical framework concentrated on the decision-making and trajectory optimization layers of the CAV autonomy stack. We systematically analyze three major optimization paradigms – first-principles model-based optimization, data-driven methods, and hybrid synergistic architectures – evaluating each against four core complexity axes: problem formulation, constraint handling, optimality guarantees, and robustness. Key applications including platooning, trajectory planning, collision avoidance, and cooperative control are examined to reveal recurring methodological patterns and critical operational constraints that limit real-world performance. Our synthesis identifies verifiable hybrid architectures, incentive-aligned multi-agent cooperation, and hardware-algorithm co-design as the defining research frontiers, and distills a targeted agenda for developing CAV control systems that are simultaneously safe, computationally efficient, and deployable in the full complexity of real-world traffic environments.

Muzahid, Abu Jafar Md [University of Tennessee, Kn↗
DOE OSTI2021

A Machine Learning-Based Method to Estimate Transformer Primary-Side Voltages with Limited Customer-Side AMI Measurements

Distribution control applications such as volt/var optimization, network reconfiguration, and distribution automation require accurate knowledge of the distribution system state. The lack of sufficient sensors on the primary side of distribution networks often limits the accuracy of the control decisions by these applications. The deployment of advanced metering infrastructure (AMI) provides utilities an opportunity to translate the AMI data on the secondary onto the primary so that it can be used as pseudo-measurements to augment the limited existing measurements on the primary. This paper develops a machine learning based approach for estimating service transformer primary-side voltages by using limited secondary-side AMI measurement. The machine learning model is developed by using random forest algorithm. The estimated primary-side voltages can be used by utilities as pseudo-measurements for distribution control applications. The detailed secondary model topology, which is an essential input data for many existing algorithms, is not required for the proposed method. The performance of the proposed method is validated by using AMI measurements from the field and an actual distribution feeder model of San Diego Gas & Electric Company.

advanced metering infrastructure↗
DOE OSTI2021

A Machine Learning-Based Method to Estimate Transformer Primary-Side Voltages with Limited Customer-Side AMI Measurements

Distribution control applications such as volt/var optimization, network reconfiguration, and distribution automation require accurate knowledge of the distribution system state. The lack of sufficient sensors on the primary side of distribution networks often limits the accuracy of the control decisions by these applications. The deployment of advanced metering infrastructure (AMI) provides utilities an opportunity to translate the AMI data on the secondary onto the primary so that it can be used as pseudo-measurements to augment the limited existing measurements on the primary. This paper develops an approach for estimating service transformer primary-side voltages by using limited secondary-side AMI measurements. The estimated primary-side voltages can be used by utilities as pseudo-measurements for distribution control applications. The detailed secondary model topology, which is an essential input data for many existing algorithms, is not required for the proposed method. The performance of the proposed method is validated by using AMI measurements from the field and an actual distribution feeder model of San Diego Gas & Electric Company.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

A Machine Learning-Based Method to Estimate Transformer Primary-Side Voltages with Limited Customer-Side AMI Measurements: Preprint

Distribution control applications such as volt/var optimization, network reconfiguration, and distribution automation require accurate knowledge of the distribution system state. The lack of sufficient sensors on the primary side of distribution networks often limits the accuracy of the control decisions by these applications. The deployment of advanced metering infrastructure (AMI) provides utilities an opportunity to translate the AMI data on the secondary onto the primary so that it can be used as pseudo-measurements to augment the limited existing measurements on the primary. This paper develops an approach for estimating service transformer primary-side voltages by using limited secondary-side AMI measurements. The estimated primary-side voltages can be used by utilities as pseudo-measurements for distribution control applications. The detailed secondary model topology, which is an essential input data for many existing algorithms, is not required for the proposed method. The performance of the proposed method is validated by using AMI measurements from the field and an actual distribution feeder model of San Diego Gas & Electric Company.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Architectural Approaches for Integrating ADMS and DERMS: Challenges, Comparisons, and Real-World Use Cases

The electrical distribution landscape is rapidly transforming due to the proliferation of distributed energy resources (DERs) such as solar panels, wind turbines, battery storage systems, combined heat and power units, and electric vehicles, introducing variability and uncontrollability that traditional grid operators are ill-equipped to manage. This transformation is further accelerated by advancements in Information and Communication Technology infrastructure that connects control centers with end devices, demanding automation and a deeper understanding of new technologies by utility personnel. Advanced grid control techniques using system-level optimization, Artificial Intelligence, and Machine Learning at the enterprise level and distributed level are evolving to address these issues. There is also an opportunity to utilize the enormous data created by these new DER technologies in the grid. Advanced Distribution Management Systems (ADMS) and Distributed Energy Resource Management Systems (DERMS) are critical in addressing these challenges by automating grid operations and enhancing reliability. Given the relatively recent development of ADMS and DERMS, and the still relatively low level of ADMS and DERMS deployment in the industry, there is a notable deficiency in the comprehensive understanding of the challenges and benefits associated with these new technologies, especially with their complementary natures and integration architectures. This paper aims to bridge the knowledge gap in ADMS and DERMS integration, presenting three distinct integration architectures currently available, and discussing the challenges and benefits of each architecture to guide utilities, industry professionals, and researchers in optimizing grid management and decision-making processes for a resilient and efficient energy future.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

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↗
DOE OSTI2026

Noise-aware optimization in nominally identical manufacturing and measuring systems for high-throughput parallel workflows

Device-to-device variability in experimental noise critically impacts reproducibility, especially in automated, high-throughput systems like additive manufacturing farms. While manageable in small labs, such variability can escalate into serious risks at larger scales, such as architectural 3D printing, where noise may cause structural or economic failures. This contribution presents a noise-aware decision-making algorithm that quantifies and models device-specific noise profiles to manage variability adaptively. It uses distributional analysis and pairwise divergence metrics with clustering to choose between single-device and robust multi-device Bayesian optimization strategies. Unlike conventional methods that assume homogeneous devices or enforce generic robustness, the proposed framework explicitly determines whether shared optimization across devices is appropriate based on the degree of inter-device noise heterogeneity. This enables improved performance, reproducibility, and efficiency. An experimental case study involving three nominally identical 3D printers (same brand, model, and close serial numbers) demonstrates reduced redundancy, lower resource usage, and improved reliability, along with improved convergence stability and solution quality through the selection of the appropriate optimization strategy based on the degree of inter-device noise heterogeneity. Overall, this framework establishes a general approach for precision- and resource-aware optimization in scalable, automated experimental platforms, demonstrated here on a representative multi-device 3D printing case study.

Schenk, Christina↗
DOE OSTI2023

Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties**

Abstract The study presents an ab‐initio based framework for the automated construction of microkinetic mechanisms considering correlated uncertainties in all energetic parameters and estimation routines. 2000 unique microkinetic models were generated within the uncertainty space of the BEEF‐vdW functional for the oxidation reactions of representative exhaust gas emissions from stoichiometric combustion engines over Pt(111) and compared to experiments through multiscale modeling. The ensemble of simulations stresses the importance of considering uncertainties. Within this set of first‐principles‐based models, it is possible to identify a microkinetic mechanism that agrees with experimental data. This mechanism can be traced back to a single exchange‐correlation functional, and it suggests that Pt(111) could be the active site for the oxidation of light hydrocarbons. The study provides a universal framework for the automated construction of reaction mechanisms with correlated uncertainty quantification, enabling a DFT‐constrained microkinetic model optimization for other heterogeneously catalyzed systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Real-time control of connected vehicles in signalized corridors using pseudospectral convex optimization

Recent advances in Connected and Automated Vehicle (CAV) technologies have opened up new opportunities to enable safe, efficient, and sustainable transportation systems. However, developing reliable and rapid speed control algorithms in highly dynamic environments with complex inter-vehicle interactions and nonlinear vehicle dynamics is still a daunting task. In this paper, we develop a novel speed control method for CAVs to produce optimal speed profiles that minimize the fuel consumption and avoid idling at signalized intersections. To this end, an optimal control problem is formulated using the information of the upcoming traffic signal to adapt vehicles' speeds to avoid frequent stop-and-go driving patterns. Here, by applying the pseudospectral discretization method and the sequential convex programming method, the computational efficiency is greatly improved, enabling potential real-time on-vehicle applications. In addition, the algorithm is implemented under a model predictive control framework to ensure online control with instant response for collision avoidance and robust vehicle coordination. The proposed algorithm is verified through numerical simulations of three different traffic scenarios. The convergence and accuracy of the proposed approach are demonstrated by comparing with a popular nonlinear solver. Furthermore, the benefit of the proposed method in both traffic mobility and fuel efficiency is validated using the speed profile determined from a traffic following model in a simulation software as the baseline.

42 ENGINEERING↗