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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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At least 91 records · Page 5

Benchmarking optimization methods for materials research: Gradient descent and Bayesian optimization for lithium-ion battery aging diagnostics

Accurate and efficient parameter estimation is essential for battery diagnostics and aging analysis. Here, in this study, we compare two optimization-based approaches—gradient descent and Bayesian optimization—for extracting parameters from differential voltage analysis in lithium-ion batteries. While these techniques are widely used, their relative strengths and limitations for this application are not well understood. The study evaluates the trade-offs between these methods in terms of result quality, computational cost, and reliability within this specific application. The diagnostic results from our battery data suggest adopting gradient descent as an initial method for rapid and efficient analysis, while employing more stable optimization techniques, such as Bayesian optimization, as a verification step to mitigate potential instability. Comparing the two methods provides information on algorithmic choice, while inspiring further discussions on selecting appropriate techniques for specific research tasks.

Zhao, Ziqing [Boston Univ., MA (United States)] (O↗

Optimization of an aerostructural machining process using physics-guided Bayesian stability modelling

Existing algorithms for predicting milling chatter have not been widely adopted in industry since they require specialized instruments to measure the stability inputs. This study describes how the machining process for a meter-scale aluminum aerostructure was optimized using a physics-guided Bayesian stability model. The study was performed in collaboration with an industrial partner on production machines to evaluate the practicality of the proposed method under real-world conditions. For each cutting tool, the Bayesian approach automatically selected a small number of cutting tests, which were monitored using a microphone to observe the chatter frequency. The algorithm learned the system dynamics, cutting forces, and stability map from these test results. A novel algorithm for predicting tool bending stress was incorporated into the test selection algorithm to avoid tool breakage. On average, each set of optimized cutting parameters required less than six tests to identify and were 97% more productive than baseline parameters from the cutting tool manufacturer. The machining program was then further optimized using commercial feedrate scheduling software to remove cutting force spikes and reduce air cutting time. Five components were machined using the optimized process. These results demonstrate the potential for physics-guided Bayesian models to improve productivity in industrial settings.

Cornelius, Aaron [UT Knoxville]↗

The Cell Utilized Partitioning Model as a Predictive Tool for Optimizing Counter-Current Chromatography Processes

Counter-current chromatography (CCC) is capable of unique elution modes that isolate analytes using the movement of the stationary phase in addition to moving the mobile phase. These modes include elution-extrusion CCC (EECCC) and dual-mode CCC (DM CCC) that are not possible in traditional solid-liquid chromatography systems. Although EECCC and DM CCC are widely used to recover highly retained components, to our knowledge, optimizing the elution process in these modes with predictive models has not been reported. To address this gap, we developed a predictive model for CCC dubbed the Cell Utilized Partitioning (CUP) model. The CUP model accurately predicts the effluents of multicomponent separations in EECCC and DM CCC modes when compared to experimental data. Furthermore, CUP model simulations were extended to investigate the influence of operating and intrinsic parameters on the yield and productivity, and to compare the separation performances of EECCC and DM CCC in various conditions. The results demonstrate that low distribution constants, usually a KD less than 1, and a selectivity > 1.3, under specific flowrate ranges, increase both productivity and yield. From these results, generalized optimization and scaleup guidelines are proposed that can apply to research settings and to industrial processes to maximize preparative CCC performance.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗

Reman Co-Design: A Combined Design and Remanufacturing Optimization Framework for the Sustainable Design of High-Value Components

Remanufacturing is a process that returns end-of-life equipment to as-new conditions and offers numerous environmental and economic benefits. To fully capitalize on remanufacturing, its synergistic interactions with design must be fully realized and addressed during the design stage. Although this fact is widely recognized in the literature, most of the current studies focus primarily either on the design or remanufacturing aspects of design for remanufacturing (DfRem). In an effort to offer a more integrated DfRem approach than those reported in the literature, we propose a new combined design and remanufacturing optimization (reman co-design) framework that takes a holistic approach by leveraging the intricate interplay between design and remanufacturing. Here, the aim of this formulation is to identify the optimal decisions that maximize the benefits of remanufacturing throughout the entire lifespan of a product. To showcase the utility of the new formulation, we are using a case study of a hydraulic manifold, (re)manufactured by John Deere. Using this industry example, we compare the results of reman co-design to the ones from a decoupled remanufacturing design approach. Results reveal that remanufacturing benefits are better realized and improved upon when using the developed reman co-design approach.

design for X↗

Operation Optimization using Reinforcement Learning with Integrated Artificial Reasoning Framework

In large and complex systems, operational decision-making requires a systematic analysis with a vast amount of data from both process parameters and component status monitoring. In this paper, we present an integrated artificial reasoning approach for system state transition models that can help operational decision-making with explainable and traceable reasoning. The integrated artificial reasoning framework is a physics-based approach of defining the system structure in a Bayesian network, so we leveraged it in a Markov decision process (MDP) for finding optimal operational solutions. In our proposed framework, the MDP is implemented on a dynamic Bayesian network (DBN), which represents causalities in a system. The multilevel flow modeling was utilized in order to extract these causalities in a more efficient and objective manner. Since multilevel flow modeling is based on the fundamental energy and mass conservation laws, the target system is decomposed into several mass, energy, and information structures, which serve as the basis for a DBN. The MDP consists of the processes of finding a solution for the Bellman equation, which can be derived from the conditional probability equations of the constructed DBN. System operators can capture stochastic system dynamics as multiple subsystem state transitions based on their physical relations and uncertainties coming from the component degradation process or random failures. We analyzed a simplified example system to illustrate finding an optimal operational policy with this approach.

99 GENERAL AND MISCELLANEOUS↗

Optimization of Marine Energy Conversion Systems Through Modeling, Optimization, and CHIL Validation

The work aims to achieve optimal tidal energy conversion through a comprehensive approach of modeling, optimization, and control hardware-in-the-loop (CHIL) validation. By developing accurate models and employing optimization techniques, it seeks to identify efficient system configurations and control strategies. HIL validation will ensure the performance and reliability of the optimized tidal energy conversion system. The preparation of the present manual has been supported by the U.S. Department of Energy.

16 TIDAL AND WAVE POWER↗

LINAC OPTICS OPTIMIZATION WITH MULTI-OBJECTIVE OPTIMIZATION

The beamline design of recirculating linacs requires special attention to avoid beam instabilities due to RF wakefields. A proposed high-energy, multi-pass energy recovery demonstration at CEBAF uses a low beam current. Stronger focusing at lower energies is necessary to avoid beam breakup(BBU) instabilities, even with this small beam current. The CEBAF linac optics optimization balances over-focusing at higher energies and beta excursions at lower energies. Using proper mathematical expressions, linac optics optimization can be achieved with evolutionary algorithms. Here, we present the optimization process of North Linac optics using multi-objective optimization.

Neththikumara, I.↗

Optimizing collimator positions using bayesian optimization in the Fermilab MI-8 transfer line

Collimators are used to minimize losses and to remove particles that would otherwise get lost downstream and irradiate the machine. Finding the optimal jaw positions is time consuming and with the upstream beam properties changing, the collimation settings would need to be readjusted each time. Therefore, a method to optimize collimator positions and to operate them at full capacity in a short time is required for loss control downstream. A study of collimator positions was conducted and a machine learning (ML) model was developed to predict optimal collimator positions. Bayesian Optimization (BO) was used to calculate new jaw positions from the ML model. The results of BO and usage of ML for better performance of the collimation system are presented in this paper.

Babacan, Betiay [Fermilab]↗

Online multi-objective Bayesian optimization of injection efficiency and beam lifetime with skew quadrupoles at NSLS-II

At NSLS-II, the vertical emittance of electron beam is typically blown up to ~30 pm with a coupling wave to increase beam lifetime during user operation. As more and more insertion devices are added to the storage ring, injection efficiency to the ring drops noticeably in certain machine states, apparently due to degraded dynamic apertures. To help alleviate this issue, we have recently performed online multi-objective Bayesian optimization to increase injection efficiency while maintaining beam lifetime, by adjusting the strengths of 15 skew quadrupoles in non-dispersive sections. We report the results of this optimization effort.

Hidaka, Yoshiteru [Brookhaven]↗

High-Dimensional Bayesian Optimization via Semi-Supervised Learning with Optimized Unlabeled Data Sampling

We introduce a novel semi-supervised learning approach, named Teacher-Student Bayesian Optimization (TSBO ), integrating the teacher-student paradigm into BO to minimize expensive labeled data queries for the first time. TSBO incorporates a teacher model, an unlabeled data sampler, and a student model. The student is trained on unlabeled data locations generated by the sampler, with pseudo labels predicted by the teacher. The interplay between these three components implements a unique selective regularization to the teacher in the form of student feedback. This scheme enables the teacher to predict high-quality pseudo labels, enhancing the generalization of the GP surrogate model in the search space. To fully exploit TSBO , we propose two optimized unlabeled data samplers to construct effective student feedback that well aligns with the objective of Bayesian optimization. Furthermore, we quantify and leverage the uncertainty of the teacher-student model for the provision of reliable feedback to the teacher in the presence of risky pseudo-label predictions. TSBO demonstrates significantly improved sample-efficiency in several global optimization tasks under tight labeled data budgets. The implementation is available at https://github.com/reminiscenty/TSBO-Official.

Yin, Yuxuan↗

System design optimization for a Mars-roving vehicle and perturbed-optimal solutions in nonlinear programming

Work in two somewhat distinct areas is presented. First, the optimal system design problem for a Mars-roving vehicle is attacked by creating static system models and a system evaluation function and optimizing via nonlinear programming techniques. The second area concerns the problem of perturbed-optimal solutions. Given an initial perturbation in an element of the solution to a nonlinear programming problem, a linear method is determined to approximate the optimal readjustments of the other elements of the solution. Then, the sensitivity of the Mars rover designs is described by application of this method.

Pavarini, C.↗

Aircraft configuration optimization including optimized flight profiles

The Flight Optimization System (FLOPS) is an aircraft configuration optimization program developed for use in conceptual design of new aircraft and in the assessment of the impact of advanced technology. The modular makeup of the program is illustrated. It contains modules for preliminary weights estimation, preliminary aerodynamics, detailed mission performance, takeoff and landing, and execution control. An optimization module is used to drive the overall design and in defining optimized profiles in the mission performance. Propulsion data, usually received from engine manufacturers, are used in both the mission performance and the takeoff and landing analyses. Although executed as a single in-core program, the modules are stored separately so that the user may select the appropriate modules (e.g., fighter weights versus transport weights) or leave out modules that are not needed.

Mccullers, L. A.↗

Structural optimization of framed structures using generalized optimality criteria

The application of a generalized optimality criteria to framed structures is presented. The optimality conditions, Lagrangian multipliers, resizing algorithm, and scaling procedures are all represented as a function of the objective and constraint functions along with their respective gradients. The optimization of two plane frames under multiple loading conditions subject to stress, displacement, generalized stiffness, and side constraints is presented. These results are compared to those found by optimizing the frames using a nonlinear mathematical programming technique.

Kolonay, R. M.↗

A Closed-Loop Optimal Neural-Network Controller to Optimize Rotorcraft Aeromechanical Behaviour: Output from Two Sample Cases - Volume 2

A closed-loop optimal neural-network controller technique was developed to optimize rotorcraft aeromechanical behaviour. This technique utilities a neural-network scheme to provide a general non-linear model of the rotorcraft. A modem constrained optimisation method is used to determine and update the constants in the neural-network plant model as well as to determine the optimal control vector. Current data is read, weighted, and added to a sliding data window. When the specified maximum number of data sets allowed in the data window is exceeded, the oldest data set is and the remaining data sets are re-weighted. This procedure provides at least four additional degrees-of-freedom in addition to the size and geometry of the neural-network itself with which to optimize the overall operation of the controller. These additional degrees-of-freedom are: 1. the maximum length of the sliding data window, 2. the frequency of neural-network updates, 3. the weighting of the individual data sets within the sliding window, and 4. the maximum number of optimisation iterations used for the neural-network updates.

Leyland, Jane Anne↗

Surface Navigation Using Optimized Waypoints and Particle Swarm Optimization

The design priority for manned space exploration missions is almost always placed on human safety. Proposed manned surface exploration tasks (lunar, asteroid sample returns, Mars) have the possibility of astronauts traveling several kilometers away from a home base. Deviations from preplanned paths are expected while exploring. In a time-critical emergency situation, there is a need to develop an optimal home base return path. The return path may or may not be similar to the outbound path, and what defines optimal may change with, and even within, each mission. A novel path planning algorithm and prototype program was developed using biologically inspired particle swarm optimization (PSO) that generates an optimal path of traversal while avoiding obstacles. Applications include emergency path planning on lunar, Martian, and/or asteroid surfaces, generating multiple scenarios for outbound missions, Earth-based search and rescue, as well as human manual traversal and/or path integration into robotic control systems. The strategy allows for a changing environment, and can be re-tasked at will and run in real-time situations. Given a random extraterrestrial planetary or small body surface position, the goal was to find the fastest (or shortest) path to an arbitrary position such as a safe zone or geographic objective, subject to possibly varying constraints. The problem requires a workable solution 100% of the time, though it does not require the absolute theoretical optimum. Obstacles should be avoided, but if they cannot be, then the algorithm needs to be smart enough to recognize this and deal with it. With some modifications, it works with non-stationary error topologies as well.

Birge, Brian↗

Rapid Generation of Optimal Asteroid Powered Descent Trajectories Via Convex Optimization

This paper investigates a convex optimization based method that can rapidly generate the fuel optimal asteroid powered descent trajectory. The ultimate goal is to autonomously design the optimal powered descent trajectory on-board the spacecraft immediately prior to the descent burn. Compared to a planetary powered landing problem, the major difficulty is the complex gravity field near the surface of an asteroid that cannot be approximated by a constant gravity field. This paper uses relaxation techniques and a successive solution process that seeks the solution to the original nonlinear, nonconvex problem through the solutions to a sequence of convex optimal control problems.

Pinson, Robin↗

Optimal sizing of battery energy storage systems for peak shaving and demand response using a degradation-aware Bayesian Optimization-Mixed-Integer Linear Programming framework

The increasing integration of renewable energy and rising electricity demand highlight the importance of battery energy storage systems for peak shaving and demand response. Unlike prior approaches that overlook operational impacts on degradation, this study proposes a Bayesian Optimization–Mixed Integer Linear Programming framework for optimal battery energy storage system sizing. In this framework, Mixed Integer Linear Programming determines short-term scheduling while a calibrated electrochemical model iteratively evaluates degradation. The central hypothesis is that the framework can efficiently identify optimal sizes that yield realistic and economically robust outcomes. The method is tested across three scenarios: peak shaving, peak shaving with energy-reduction demand response, and peak shaving with power-reduction demand response. Results show that the framework converge to the optimum within 20 iterations out of 150 possible sizes. Under baseline conditions, the framework consistently selects the smallest feasible system, minimizing unnecessary degradation costs from oversized storage. Sensitivity analyses reveal that larger systems are favored as demand rates or incentives increase. Comparisons of demand response programs indicate that power-reduction demand response offers greater economic benefits than energy-reduction demand response, although demand savings from peak shaving remain the dominant contributor to overall performance. This study demonstrates that the proposed framework balances computational tractability with degradation fidelity, identifies critical economic thresholds for investment, and offers a practical, flexible tool to guide industrial stakeholders in cost-effective battery energy storage system deployment.

Batteries↗