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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A randomized sketching trust-region secant method for low-memory dynamic optimization

The numerical solution of dynamic optimization problems is often limited by the memory required to store the state trajectory, which is used to evaluate the objective function and its derivatives. Recently, [R. Muthukumar et al., SIAM Journal on Optimization 31(2), pp. 1242–1275 (2021)] introduced a trust-region method for dynamic optimization that employs randomized sketching to compress the state trajectory, resulting in inexact derivative computations. By adaptively learning the sketch rank, the trust-region algorithm achieves rigorous convergence guarantees. Here, we extend this approach to use secant Hessian approximations. Due to the randomness introduced by the sketch, the traditional secant update formulae can produce poor Hessian approximations. In particular, the difference of two gradients, computed from two different sketches, may be inconsistent. To overcome this, we employ a sketched approximation of the Hessian application, in lieu of computing the gradient difference. We numerically demonstrate the improved stability of this approach on an example from PDE-constrained optimization.

dynamic optimization↗
DOE OSTI2026

Machine Learning for Fairness-Aware Load Shedding: A Real-Time Solution via Identifying Binding Constraints: Preprint

Timely and effective load shedding in power systems is critical for maintaining supply-demand balance and preventing cascading blackouts. To eliminate load shedding bias against specific regions in the system, optimization-based methods are uniquely positioned to help balance between economic and fairness considerations. However, the resulting optimization problem involves complex constraints, which can be time-consuming to solve and thus cannot meet the real-time requirements of load shedding. To tackle this challenge, in this paper we present an efficient machine learning algorithm to enable millisecond-level computation for the optimization-based load shedding problem. Numerical studies on both a 3-bus toy example and a realistic RTS-GMLC system have demonstrated the validity and efficiency of the proposed algorithm for delivering fairness-aware and real-time load shedding decisions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Optimal Control for Fast Frequency Response and Black-Start using Embedded Storages with Grid-Forming Control

The grid-forming inverter is regarded as the solution for integrating high levels of renewable resources into future power systems. Ensuring the stable operation of grids necessitates that grid-forming inverters offer fast frequency response. This report introduces an optimal control method that coordinates the embedded storage within the grid-forming control model with conventional synchronous generators. The optimized active power reference for the embedded storage is generated using receding horizon optimization control, aiming to keep the center of inertia frequency within acceptable limits. The effectiveness of the proposed control is verified through testing in the IEEE 39-bus system. In addition, with grid-forming capability, we will also investigate the application of using mobile embedded storages as black-start units to provide cranking power to energize non-blackstart generators in a black-start process.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Robust measurement of microbial reduction of graphene oxide nanoparticles using image analysis

ABSTRACT Shewanella oneidensis ( S. oneidensis ) has the capacity to reduce electron acceptors within a medium and is thus used frequently in microbial fuel generation, pollutant breakdown, and nanoparticle fabrication. Microbial fuel setups, however, often require costly or labor-intensive components, thus making optimization of their performance onerous. For rapid optimization of setup conditions, a model reduction assay can be employed to allow simultaneous, large-scale experiments at lower cost and effort. Since S. oneidensis uses different extracellular electron transfer pathways depending on the electron acceptor, it is essential to use a reduction assay that mirrors the pathways employed in the microbial fuel system. For microbial fuel setups that use nanoparticles to stimulate electron transfer, reduction of graphene oxide provides a more accurate model than other commonly used assays as it is a bulk material that forms flocculates in solutions with a large ionic component. However, graphene oxide flocculates can interfere with traditional absorbance-based measurement techniques. This study introduces a novel image analysis method for quantifying graphene oxide reduction, showing improved performance and statistical accuracy over traditional methods. A comparative analysis shows that the image analysis method produces smaller errors between replicates and reveals more statistically significant differences between samples than traditional plate reader measurements under conditions causing graphene oxide flocculation. Image analysis can also detect reduction activity at earlier time points due to its use of larger solution volumes, enhancing color detection. These improvements in accuracy make image analysis a promising method for optimizing microbial fuel cells that use nanoparticles or bulk substrates. IMPORTANCE Shewanella oneidensis ( S. oneidensis ) is widely used in reduction processes such as microbial fuel generation due to its capacity to reduce electron acceptors. Often, these setups are labor-intensive to operate and require days to produce results, so use of a model assay would reduce the time and expenses needed for optimization. Our research developed a novel digital analysis method for analysis of graphene oxide flocculates that may be utilized as a model assay for reduction platforms featuring nanoparticles. Use of this model reduction assay will enable rapid optimization and drive improvements in the microbial fuel generation sector.

Bennett, Danielle T. (ORCID:0009000188748827)↗
DOE OSTI2025

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]↗
DOE OSTI2024

Machine Learning for Additive Manufacturing of Functionally Graded Materials

Additive Manufacturing (AM) is a transformative manufacturing technology enabling direct fabrication of complex parts layer-by-layer from 3D modeling data. Among AM applications, the fabrication of Functionally Graded Materials (FGMs) has significant importance due to the potential to enhance component performance across several industries. FGMs are manufactured with a gradient composition transition between dissimilar materials, enabling the design of new materials with location-dependent mechanical and physical properties. This study presents a comprehensive review of published literature pertaining to the implementation of Machine Learning (ML) techniques in AM, with an emphasis on ML-based methods for optimizing FGMs fabrication processes. Through an extensive survey of the literature, this review article explores the role of ML in addressing the inherent challenges in FGMs fabrication and encompasses parameter optimization, defect detection, and real-time monitoring. The article also provides a discussion of future research directions and challenges in employing ML-based methods in the AM fabrication of FGMs.

36 - MATERIALS SCIENCE↗
DOE OSTI2026

Absorber Clamp for Microcalorimeter Decay Energy Spectrometry

Microcalorimeter Decay Energy Spectrometry (DES) is of interest to nuclear safeguards due to its ability to provide high precision isotopic compositions of nanogram-to microgram-scale samples of Pu and U and related daughter products. The DES method is able to record decay energy of each alpha-decay event in a sample that is embedded in a metal matrix (absorber) and thermally linked to a microcalorimeter detector. This work optimizes the DES technique used to thermally link the absorber and microcalorimeter detector element to allow for more rapid assembly and to increase detector performance and operating life. Optimized attachment methods are crucial for enhancing the viability of DES in high-sample-throughput facilities, such as those that support international nuclear safeguards measurements. Here, in this study, we designed and implemented a pressure-based absorber clamp and evaluated the performance of this new attachment method relative to pressed indium bond attachment. Results using the absorber clamp demonstrate a streamlined detector assembly procedure that minimizes accidental damage to detectors, as well as increasing detector pulse speeds by 57%. Spectral comparison shows the clamp preserves detector performance relative to indium attachment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Preliminary study of auto-differentiation algorithm in beam dynamics with stochastic process

Modern particle accelerator optimization requires sophisticated computational methods to address the inherently stochastic nature of beam dynamics. This research develops a framework applying AD to SDEs that specifically addresses beam dynamics challenges in particle accelerators, focusing on accurately modeling and optimizing beam behavior in regimes dominated by stochastic processes. By incorporating key physical phenomena such as synchrotron radiation, wakefield effects, and quantum excitation, the framework aims to provide auto differentiation on the figure of merit of the phase space evolution and beam dynamics. The methodology will enable effective optimization method in a dynamic system with stochastic process.

Accelerator Physics↗
DOE OSTI2025

Operator learning for energy-efficient building ventilation control with computational fluid dynamics simulation of a real-world classroom

Energy-efficient ventilation control plays an important role in reducing building energy consumption while ensuring occupant health and comfort. While Computational Fluid Dynamics (CFD) simulations provide detailed and physically accurate representations of indoor airflow, their high computational cost limits their use in real-time building control. In this work, we present a neural operator learning framework that combines the physical accuracy of CFD with the computational efficiency of machine learning to enable building ventilation control with the high-fidelity fluid dynamics models. Our method jointly optimizes the airflow supply rates and vent angles to reduce energy use and adhere to air quality constraints. We train an ensemble of neural operator transformer models to learn the mapping from building control actions to airflow fields using high-resolution CFD data. This learned neural operator is then embedded in an optimization-based control framework for building ventilation control. Experimental results show that our approach achieves significant energy savings compared to maximum airflow rate control, rule-based control, as well as data-driven control methods using spatially averaged CO 2 prediction and deep learning–based reduced-order models, while consistently maintaining safe indoor air quality. These results highlight the practicality and scalability of our method in maintaining energy efficiency and indoor air quality in real-world buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Finding the Pareto front for high-entropy-alloy catalysts

Finding catalysts that have both high activity and high stability presents a long-standing challenge. Since optimizing activity and stability are conflicting objectives, the best one can do is find the Pareto front that yields optimal tradeoffs between these features. On the Pareto front, there is a trade-off where a portion of catalytic activity must be sacrificed to gain further stability and vice versa . Here, we provide a method to optimize the front by designing a multi-objective genetic algorithm that combines machine learning, graph neural network calculations, and density functional calculations. The application considered is the oxygen evolution reaction catalyzed by high-entropy alloys. We find that the Pareto front generally contains alloys with diverse elements, but that enhancing stability inevitably inflicts a toll on activity. We compare the general conclusions of our work to a survey of 545 experiments.

Zhang, Chengyi [Univ. of Auckland (New Zealand)]↗
DOE OSTI2024

Reinforcement Learning-Based Approach for EMT Automation of Large-Scale PV Plants

In the pursuit of efficient and precise modeling of large-scale power systems, particularly utility-scale photovoltaic (PV) plants, Electromagnetic Transient (EMT) simulations play a crucial role. As utility-scale PV plants increase in size and complexity, traditional computational methods become inadequate, necessitating more advanced techniques. This paper highlights the progressive efforts made to accelerate EMT simulations. A novel continuous reinforcement learning (RL) strategy is explored to automate the differentiation and categorization of stiff and non-stiff differential algebraic equations (DAEs). The use of stiff and non-stiff integration methods applied to relevant parts of the DAEs assists with the speed-up of the simulations. The paper details the data acquisition, development and offline training of the RL model, leading to its validation that demonstrates a high precision in optimizing simulation methods. The proposed RL promises to significantly enhance the efficacy of EMT simulations, offering a robust framework for the future of power system analysis.

Xia, Qianxue↗
DOE OSTI2026

Electrochemical Deconstruction of Ortho-Phthalate Plasticizers and Recovery of Plasticizing Moieties

Electrochemical methods for the direct reduction of alkyl esters have been understudied but provide a potential advantage for addressing specific waste streams given that such strategies often require only a minimal chemical profile. One such waste stream that could benefit from electrochemical remediation is poly(vinyl chloride) (PVC) plastics. PVC recycling often faces challenges due to the complexity of such waste. Solvent-based recycling methods pose several advantages for addressing post-use PVC; however, such methods are complicated by the high amounts of toxic legacy plasticizers (ortho-phthalates) present in PVC. A potential solution to addressing such phthalates is to address them electrochemically, coupled with recovery of the resulting valuable products. Presented herein is an optimized electrochemical method for ester activation that is leveraged to separate and recover the aromatic and alkyl components of ortho-phthalate plasticizers. The resulting aliphatic alcohols may be reused to prepare other non-toxic plasticizers. This electro-degradation method is demonstrated on six phthalates that have been identified to pose health concerns in addition to plasticizers recovered from commercial samples of PVC.

di-(2-ethylhexyl) phthalate↗
DOE OSTI2024

Reduced-dimension Bayesian optimization for model calibration of transient vapor compression cycles

Development and calibration of first-principles dynamic models of vapor compression cycles (VCCs) is of critical importance for applications that include control design and fault detection and diagnostics. Nevertheless, the inherent complexity of models that are represented by large systems of differential–algebraic equations leads to significant challenges for model calibration processes that utilize classical gradient-based methods. Bayesian optimization (BO) is a sample-efficient and gradient-free approach using a probabilistic surrogate model and optimal search over a feasible parameter space. Despite the benefits of BO in reducing computational costs, challenges remain in dealing with a high-dimensional calibration task resulting from a large set of parameters that have significant impacts on system behavior and need to be calibrated simultaneously. This paper presents a reduced-dimension BO framework for calibrating transient VCCs models where the calibration space is projected to a low-dimensional subspace for accelerating convergence of the solution algorithm and consequently reducing the number of transient simulations. The proposed approach was demonstrated via two case studies associated with different VCC applications where 10 parameters were calibrated in each case using laboratory measurements. The reduced-dimension BO framework only required 1 / 8 th of the iterations associated with a standard BO method that deals with high-dimensional calibration parameters for converged solutions and yielded comparable accuracy. Furthermore, both calibrated models revealed significant accuracy improvements compared to uncalibrated models.

Ma, Jiacheng↗
DOE OSTI2024

Implementation and validation of optimal start control strategy for air conditioners and heat pumps

Commercial buildings are responsible for approximately 20 % of the total energy consumption and greenhouse gas emissions in the United States. Over 85 % of these buildings lack building automation systems, and many are small (<50,000 square feet), underserved, and use rooftop units (RTUs) for heating, ventilation, and air-conditioning needs. Because these buildings lack proper energy management systems, several operational deficiencies lead to excess energy consumption. Studies have shown that managing the RTUs’ heating and cooling set points, schedules, setbacks, and optimal start can result in a 20 % to 25 % reduction in electricity consumption in small commercial buildings. These buildings typically use fixed schedules to start the RTUs 60 to 120 min before occupancy begins, which results in excess energy consumption. This paper presents research that demonstrates and evaluates the performance of four optimal start methods, which utilize data-based modeling as a key element in facilitating adaptive control in response to time-varying inputs while requiring minimal sensor inputs. The evaluation found energy savings in two commercial buildings equipped with RTUs by periodically alternating four different optimal start models during the cooling and heating season. The resulting energy savings are positive for all models and range from 2 to 5 kWh/day/unit. The units on the east side of the building showed higher savings, while interior units showed greater variability in savings due to the differences in capacities and room sizes. Savings were considerably greater during the heating season compared to the cooling season. The performance of all four models on Mondays was poor; models suggested a shorter optimal start time, which resulted in relatively larger errors. Finally, the future work will look at using a different model for the days after weekends and holidays.

42 ENGINEERING↗
DOE OSTI2025

Comprehensive analysis of disruption mitigation methods using gas and pellet-like injections in ITER-like Tokamaks

Abstract Inert-gas shielding could be an effective mechanism for protection of plasma facing surfaces (PFS) against plasma particles impact and photon radiation heat loads during transient events in fusion devices. Neutral gas injection is one promising way to mitigate erosion of tokamak components and contamination. The objective of this work is to study and optimize mitigation methods using neutral gas and pellet-like injections to decrease the heat load to the divertor surfaces and to prevent vaporization of the various internal surfaces due to transient events in ITER-like devices. The integrated self-consistent models implemented in the HEIGHTS package was used for detailed analysis of the potential secondary plasma generation from the injected inert gas, its radiative characteristics, and shielding effectiveness. We varied the density, size, and location of an argon gas cloud to minimize the disruption energy deposited into the divertor components. We also investigated innovative ways for minor changes in ITER-like internal design to mitigate disruptions. We found the optimum parameters to fully protect ITER tokamak surfaces from erosion and vaporization during plasma instabilities. This preliminary analysis showed that using Ar gas injection methods could lead to enhancement in components lifetime in ITER-like and future DEMO devices with minor design changes.

Science & Technology - Other Topics↗
DOE OSTI2025

Reconstruction of beam parameters and betatron radiation spectra measured with a Compton spectrometer

The photon flux resulting from high-energy electron beam interactions with high-field systems, such as those found in the upcoming FACET-II experiments at the SLAC National Accelerator Laboratory, yields deep insight into the electron beam’s underlying dynamics during the interaction. However, extracting this information is an intricate process. To demonstrate how to approach this challenge using modern methods, this paper utilizes simulated data that models plasma wakefield acceleration-derived betatron radiation in experiments to determine reliable methods of reconstructing key beam and beam-plasma interaction properties. For betatron radiation measurements, translating the observed 200⁢ keV to 30⁢ MeV photon double-differential energy-angle spectra obtained from an advanced Compton spectrometer requires testing multiple methods to optimize the pipeline from its response to incident electron beam information. The paper compares maximum likelihood estimation and machine learning to refine the translation of photon spectra into precise electron beam metrics, such as spot size, energy, and emittance, enhancing the understanding of beam behavior within these dense, high-field environments. We also introduce machine learning and the expected maximization algorithm to reconstruct the primary photon spectrum, employing a multilayer neural network for regression analysis of the energy and angle spectra. With appropriate modifications, the advanced methods reproduce relevant incident beam parameters with high accuracy, even for beam sizes in the <10 μ⁢m range. This capacity is critical to understanding intense beam propagation and its optimization in plasma.

Beam code development & simulation techniques↗