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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 OSTI2024

High-dimensional control co-design of a wave energy converter with a novel pitch resonator power takeoff system

Researchers are exploring adding wave energy converters to existing oceanographic buoys to provide a predictable source of renewable power. A ”pitch resonator” power take-off system has been developed that generates power using a geared flywheel system designed to match resonance with the pitching motion of the buoy. However, the novelty of the concept leaves researchers uncertain about various design aspects of the system. This work presents a novel design study of a pitch resonator to inform design decisions for an upcoming deployment of the system. The assessment uses control co-design via WecOptTool to optimize control trajectories for maximal electrical power production while varying five design parameters of the pitch resonator. Given the large search space of the problem, the control trajectories are optimized within a Monte Carlo analysis to identify optimal designs, followed by parameter sweeps around the optimum to identify trends between the design parameters. The gear ratio between the pitch resonator spring and flywheel are found to be the most sensitive design variables to power performance. Finally, the assessment also finds similar power generation for various sizes of resonator components, suggesting that correctly designing for optimal control trajectories at resonance is more critical to the design than component sizing.

16 TIDAL AND WAVE POWER↗
DOE OSTI2018

Fuel-Optimal Periodic Control of Passenger Cars in Cruise Based on Pontryagin's Minimum Principle

This paper aims to exploit the fuel saving potential of a passenger car in cruising scenarios by deriving an optimal periodic control strategy based on Pontyagin’s Minimum Principle. Gear shifting and coupling between the engine and the driveline are explicitly included in the optimal control problem, and this leads to a hybrid system. By investigating the analytically derived optimal trajectory in the state space, we confirm the optimal periodic control. Considerable advantages in fuel economy up to 4.8% compared to conventional steady control are demonstrated.

automotive control↗
DOE OSTI2023

Trajectory sampling and finite-size effects in first-principles stopping power calculations

Abstract Real-time time-dependent density functional theory (TDDFT) is presently the most accurate available method for computing electronic stopping powers from first principles. However, obtaining application-relevant results often involves either costly averages over multiple calculations or ad hoc selection of a representative ion trajectory. We consider a broadly applicable, quantitative metric for evaluating and optimizing trajectories in this context. This methodology enables rigorous analysis of the failure modes of various common trajectory choices in crystalline materials. Although randomly selecting trajectories is common practice in stopping power calculations in solids, we show that nearly 30% of random trajectories in an FCC aluminum crystal will not representatively sample the material over the time and length scales feasibly simulated with TDDFT, and unrepresentative choices incur errors of up to 60%. We also show that finite-size effects depend on ion trajectory via “ouroboros” effects beyond the prevailing plasmon-based interpretation, and we propose a cost-reducing scheme to obtain converged results even when expensive core-electron contributions preclude large supercells. This work helps to mitigate poorly controlled approximations in first-principles stopping power calculations, allowing 1–2 order of magnitude cost reductions for obtaining representatively averaged and converged results.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Collidoscope: An Improved Tool for Computing Collisional Cross-Sections with the Trajectory Method

Ion mobility-mass spectrometry (IM-MS) can be a powerful tool for determining structural information about ions in the gas phase, from small covalent analytes to large, native-like or denatured proteins and complexes. For large biomolecular ions, which may have a wide variety of possible gas-phase conformations and multiple charge sites, quantitative, physically explicit modeling of collisional cross sections (CCSs) for comparison to IMS data can be challenging and time-consuming. We present a “trajectory method” (TM) based CCS calculator, named “Collidoscope,” which utilizes parallel processing and optimized trajectory sampling, and implements both He and N{sub 2} as collision gas options. Also included is a charge-placement algorithm for determining probable charge site configurations for protonated protein ions given an input geometry in pdb file format. Results from Collidoscope are compared with those from the current state-of-the-art CCS simulation suite, IMoS. Collidoscope CCSs are within 4% of IMoS values for ions with masses from ~18 Da to ~800 kDa. Collidoscope CCSs using X-ray crystal geometries are typically within a few percent of IM-MS experimental values for ions with mass up to ~3.5 kDa (melittin), and discrepancies for larger ions up to ~800 kDa (GroEL) are attributed in large part to changes in ion structure during and after the electrospray process. Due to its physically explicit modeling of scattering, computational efficiency, and accuracy, Collidoscope can be a valuable tool for IM-MS research, especially for large biomolecular ions. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Model-Free Primal-Dual Methods for Network Optimization with Application to Real-Time Optimal Power Flow

This paper examines the problem of real-time optimization of networked systems and develops online algorithms that steer the system towards the optimal trajectory without explicit knowledge of the system model. The problem is modeled as a dynamic optimization problem with time-varying performance objectives and engineering constraints. The design of the algorithms leverages the online zero-order primal-dual projected-gradient method. In particular, the primal step that involves the gradient of the objective function (and hence requires a networked systems model) is replaced by its zero-order approximation with two function evaluations using a deterministic perturbation signal. The evaluations are performed using the measurements of the system output, hence giving rise to a feedback interconnection, with the optimization algorithm serving as a feedback controller. The paper provides some insights on the stability and tracking properties of this interconnection. Finally, the paper applies this methodology to a real-time optimal power flow problem in power systems, and shows its efficacy on the IEEE 37-node distribution test feeder for reference power tracking and voltage regulation.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2016

An adjoint method for a high-order discretization of deforming domain conservation laws for optimization of flow problems

We report the fully discrete adjoint equations and the corresponding adjoint method are derived for a globally high-order accurate discretization of conservation laws on parametrized, deforming domains. The conservation law on the deforming domain is transformed into one on a fixed reference domain by the introduction of a time-dependent mapping that encapsulates the domain deformation and parametrization, resulting in an Arbitrary Lagrangian–Eulerian form of the governing equations. A high-order discontinuous Galerkin method is used to discretize the transformed equation in space and a high-order diagonally implicit Runge–Kutta scheme is used for the temporal discretization. Quantities of interest that take the form of space–time integrals are discretized in a solver-consistent manner. The corresponding fully discrete adjoint method is used to compute exact gradients of quantities of interest along the manifold of solutions of the fully discrete conservation law. These quantities of interest and their gradients are used in the context of gradient-based PDE-constrained optimization. The adjoint method is used to solve two optimal shape and control problems governed by the isentropic, compressible Navier–Stokes equations. The first optimization problem seeks the energetically optimal trajectory of a 2D airfoil given a required initial and final spatial position. The optimization solver, driven by gradients computed via the adjoint method, reduced the total energy required to complete the specified mission nearly an order of magnitude. The second optimization problem seeks the energetically optimal flapping motion and time-morphed geometry of a 2D airfoil given an equality constraint on the x-directed impulse generated on the airfoil. The optimization solver satisfied the impulse constraint to greater than 8 digits of accuracy and reduced the required energy between a factor of 2 and 10, depending on the value of the impulse constraint, as compared to the nominal configuration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Model-Free Primal-Dual Methods for Network Optimization with Application to Real-Time Optimal Power Flow: Preprint

This paper examines the problem of real-time optimization of networked systems and develops online algorithms that steer the system towards the optimal trajectory without explicit knowledge of the system model. The problem is modeled as a dynamic optimization problem with time-varying performance objectives and engineering constraints. The design of the algorithms leverages the online zero-order primal-dual projected-gradient method. In particular, the primal step that involves the gradient of the objective function (and hence requires networked systems model) is replaced by its zero-order approximation with two function evaluations using a deterministic perturbation signal. The evaluations are performed using the measurements of the system output, hence giving rise to a feedback interconnection, with the optimization algorithm serving as a feedback controller. The paper provides some insights on the stability and tracking properties of this interconnection. Finally, the paper applies this methodology to a real-time optimal power flow problem in power systems, and shows its efficacy on the IEEE 37-node distribution test feeder for reference power tracking and voltage regulation.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2020

Engine-in-the-Loop Study of a Hierarchical Predictive Online Controller for Connected and Automated Heavy-Duty Vehicles

This paper presents a cohesive set of engine-in-the-loop (EIL) studies examining the use of hierarchical model-predictive control for fuel consumption minimization in a class-8 heavy-duty truck intended to be equipped with Level-1 connectivity/automation. This work is motivated by the potential of connected/automated vehicle technologies to reduce fuel consumption in both urban/suburban and highway scenarios. The authors begin by presenting a hierarchical model-predictive control scheme that optimizes multiple chassis and powertrain functionalities for fuel consumption. These functionalities include: vehicle routing, arrival/departure at signalized intersections, speed trajectory optimization, platooning, predictive optimal gear shifting, and engine demand torque shaping. The primary optimization goal is to minimize fuel consumption, but the hierarchical controller explicitly accounts for other key objectives/constraints, including operator comfort and safe inter-vehicle spacing. This work is experimentally experimentally validated via a sequence of EIL studies intended for evaluating the computational costs and fuel savings associated with these algorithms. These EIL studies involve the closed-loop validation of the proposed control strategies, both individually and combined. These studies show that this hierarchy of algorithms is capable of running online, with the round-trip communication delay inherent in EIL simulation being one of the key factors affecting the EIL results. Moreover, the EIL studies are encouraging, both in terms of the successful hierarchical integration of the underlying algorithms and also in the resulting fuel savings seen in the EIL tests. In particular, the EIL results suggest that an aggressive overall goal of reducing vehicle fuel consumption by 15-20% or more is potentially achievable, especially in urban/suburban scenarios.

33 ADVANCED PROPULSION SYSTEMS↗
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 OSTI2022

Nonlinear multiobjective and dynamic real-time predictive optimization for optimal operation of baseload power plants under variable renewable energy

Considering the increase of disruptive variable renewable energy penetration into the power grid, this article focuses on the investigation of a multiobjective and dynamic real-time optimization framework to address the cycling of large-scale power plants under renewable penetration. In this framework, a parallelized particle swarm optimization step is first performed to generate feasible initial points. Then, a multiobjective and dynamic real-time optimization formulation generates optimal trajectories. Further, the benefit of predictive capability is investigated for the dynamic component, which introduces the novel nonlinear multiobjective and dynamic real-time predictive optimization approach. Two multiobjective formulations to obtain Pareto front optimal in real time are explored: the modified Tchebycheff-based weighted metric and ϵ-constraint methods. Economic and environmental objectives are considered in this study. A novel topical discussion on the intersection of dynamic real-time optimization with model predictive control is also presented. The developed framework is successfully applied to a baseload coal-fired power plant with postcombustion CO 2 capture. Results indicate that the approach can be deployed for a large-scale system if automatic differentiation, model reduction, and parallelization are adopted to improve computational tractability, with computational improvement up to 120-folds after performing these steps. Finally, market and carbon policies showed an impact on the optimal compromise between the objectives with an additional 63 ton of CO 2 captured under favorable market conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
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 OSTI2020

Design Optimization for Weighted Conduction Loss Minimization in a Dual-Active-Bridge-Based PV Microinverter

This manuscript presents a harmonic-superposition based frequency-domain approach for analysis and optimal design of a single-stage DAB-based DC-AC converter used in low-voltage DC to high voltage AC applications, such as PV microinverter. Specifically, two topological variations and correspondingly different modulation strategies involving up to four control variables (three phase shifts and switching frequency) are analyzed. Optimal trajectories of control variables are determined that result in minimized transformer RMS current at a given average power, while enforcing near-uniform ZVS. To make the design process holistic, an outer optimization loop is used to determine optimal values for the power transfer inductance (integrated as the transformer’s leakage inductance) and turns ratio, which minimize the weighted-average conduction loss contribution to the microinverter’s CEC efficiency. Based on the optimization analyses, a 400 W microinverter prototype is built and experimental results at one operating point are presented, achieving a measured efficiency of 92.8%.

14 SOLAR ENERGY↗
DOE OSTI2023

Energy-Efficient Driving in Connected Corridors via Minimum Principle Control: Vehicle-in-the-Loop Experimental Verification in Mixed Fleets

Connected and automated vehicles (CAVs) can plan and actuate control that explicitly considers performance, system safety, and actuation constraints in a manner more efficient than their human-driven counterparts. In particular, eco-driving is enabled through connected exchange of information from signalized corridors that share their upcoming signal phase and timing (SPaT). This is accomplished in the proposed control approach, which follows first principles to plan a free-flow acceleration-optimal trajectory through green traffic light intervals by Pontryagin's Minimum Principle in a feedback manner. Urban conditions are then imposed from exogeneous traffic comprised of a mixture of human-driven vehicles (HVs) - as well as other CAVs. As such, safe disturbance compensation is achieved by implementing a model predictive controller (MPC) to anticipate and avoid collisions by issuing braking commands as necessary. The control strategy is experimentally vetted through vehicle-in-the-loop (VIL) of a prototype CAV that is embedded into a virtual traffic corridor realized through microsimulation. Up to 36% fuel savings are measured with the proposed control approach over a human-modelled driver, and it was found connectivity in the automation approach improved fuel economy by up to 26% over automation without. Additionally, the passive energy benefits realizable for human drivers when driving behind downstream CAVs are measured, showing up to 22% fuel savings in a HV when driving behind a small penetration of connectivity-enabled automated vehicles.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2017

Optimal current profile control for enhanced repeatability of L-mode and H-mode discharges in DIII-D

In this work, model-based control techniques are used to obtain target current profiles in low-confinement-mode (L-mode) as well as high-confinement-mode (H-mode) DIII-D discharges. The control problem is formulated as a trajectory optimization problem to search for a feasible path from the expected initial condition to the desired target. The result comprises a sequence of feedforward (open-loop) control requests and a corresponding state evolution from the initial condition to the desired target. On top of this optimal feedforward control sequence a feedback (closed-loop) controller based on a linearized model and optimal control design techniques is added to track the desired state evolution. Furthermore, the effectiveness of the control approach is demonstrated with experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Mobility and Energy Improvements Realized through Prediction-based Vehicle Powertrain Control and Traffic Management (Research Performance Final Report)

The goal of this project was to utilize individual vehicle and systems-level transportation big data to develop real-world implementable techniques for energy efficiency. We collected a real world dataset in Fort Collins, CO using technology that is currently available. This dataset was used to (1) create individual vehicle prediction models and emissions models using cutting-edge artificial intelligence (AI) techniques, (2) create traffic prediction models, (3) create boundary condition constraints for optimal trajectory derivation, and (4) develop a novel Mobility Energy Productivity (MEP) model for Fort Collins, CO at a fidelity and flexibility which did not previously exist. Each of these techniques is novel but the most interesting results occurred from the intersection of all techniques. It was found that when optimal vehicle control is combined with optimal traffic light control, that significant energy efficiency improvements that do not compromise travel time are available.

42 ENGINEERING↗
DOE OSTI2018

Minimum fuel trajectories for round trip lunar missions

In this work, a study about minimum fuel trajectories in a round trip journey to the Moon is presented. It is assumed that the velocity changes are instantaneous, that is, the propulsion system is capable of delivering impulses such that the fuel consumption is represented by the total velocity increment applied to the space vehicle. It is also assumed that the velocity increments are applied tangentially to the terminal orbits, and, the outgoing trip and the return trip are analyzed separately such that the whole mission is performed with four impulses (two impulses in each trip). The mathematical models used to describe the motion of the space vehicle are three: the lunar patched-conic approximation; the classic planar circular restricted three-body problem, and, the planar bi-circular restricted four-body problem (PBR4BP). For computing the optimal trajectories, the Sequential Gradient-Restoration Algorithm with constraints is used. The influence of the Sun on round trip lunar missions is analyzed through the PBR4BP model. For all models, the trajectories studied are direct ascent maneuvers, and, both the outgoing and return trips are considered. The results obtained through the different models are compared with each other. The optimal results for the PBR4BP model show that a small reduction of the fuel consumption can be achieved if the initial phase angle of the Sun is chosen properly.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Stochastic multi-period optimal dispatch of energy storage in unbalanced distribution feeders

This report presents a convex, multi-period, AC-feasible Optimal Power Flow (OPF) framework that robustly dispatches flexible demand-side resources in unbalanced distribution feeders against uncertainty in very-short timescale solar Photo-Voltaic (PV) forecasts. This is valuable for power systems with significant behind-the-meter solar PV generation as their operation is affected by uncertainty from forecasts of demand and solar PV generation. The aim of this work is then to ensure the feasibility and reliability of distribution system operation under high solar PV penetration. We develop and present a novel, robust OPF formulation that accounts for both the nonlinear power flow constraints and the uncertainty in forecasts. This is achieved by linearizing an optimal trajectory and using first-order methods to systematically tighten voltage bounds. Case studies on a realistic distribution feeder shows the effectiveness of a receding-horizon implementation.

25 ENERGY STORAGE↗