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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 613 records · Page 34

Optimal Co-Design of Integrated Thermal-Electrical Networks and Control Systems for Grid-interactive Efficient District (GED) Energy Systems

This project advances a unified, open-source framework for the optimal co-design of thermal, electrical, and control systems in grid-interactive efficient districts (GEDs). As communities integrate growing levels of distributed energy resources, traditional approaches that model thermal and electrical networks independently lead to reduced efficiency, limited flexibility, and missed opportunities for coordinated operation. To address these challenges, the research team developed a comprehensive suite of physics-based models, control algorithms, and software tools that enable holistic simulation, optimization, and demonstration of district-scale energy systems.

14 SOLAR ENERGY↗

Analysis of Control Behavior in Eco-Driving Speed Optimization Using Pontryagin’s Minimum Principle

The energy efficiency of autonomous vehicles can be improved by selecting an optimized speed profile. Energy savings can be maximized by performing control optimization with knowledge of the powertrain characteristics and future driving conditions. Previous studies have shown that Pontryagin’s minimum principle (PMP) performs well in vehicle speed optimization problems. Building on the methods proposed in previous studies, the contribution of this study is to derive meaningful observations from the concepts and results of PMP to enhance the understanding of the control problem. In particular, the switching behavior of the control mode is analyzed with supportive variables, such as ξ and mv, which dictates the changes in the control modes. Additionally, the existence of the singular control is analyzed, which helps in understanding the cruise driving in the control problem. Finally, we obtain several solutions that satisfy various boundary conditions along with a map of the reachable states, and discuss the impact of cruise driving. This is helpful for designing practical control concepts for real-world applications based on this map. Previous studies have contributed significantly to this control problem; however, this study provides a better understanding of the issue and offers guidance and inspiration for future real-world applications based on these meaningful observations.

33 ADVANCED PROPULSION SYSTEMS↗

Development of Explainable Data-Driven Turbulence Models with Application to Liquid Fuel Nuclear Reactors

Liquid fuel nuclear reactors offer innovative possibilities in terms of nuclear reactor designs and passive safety systems. Molten Salts Reactors (MSRs) with a fast spectrum are a particular type of these reactors using liquid fuel. MSFRs often involve large open cavities in their core in which the liquid fuel circulates at a high speed to transport the heat generated by the nuclear reactions into the heat exchangers. This high-speed flow yields a turbulent field with large Reynolds numbers in the reactor core. Since the nuclear power, the neutron precursor’s transport and the thermal exchanges are strongly coupled in the MSFR’s core cavity, having accurate turbulent models for the liquid fuel flow is necessary to avoid introducing significant errors in the numerical simulations of these reactors. Nonetheless, high-accuracy simulations of the turbulent flow field in the reactor cavity of these reactors are usually prohibitively expensive in terms of computational resources, especially when performing multiphysics numerical calculations. Therefore, in this work, we propose a novel method using a modified genetic algorithm to optimize the calculation of the Reynolds Shear Stress Tensor (RST) used for turbulence modeling. The proposed optimization methodology is particularly suitable for advanced liquid fuel reactors such as the MSFRs since it allows the development of high-accuracy but still low-computational-cost turbulence models for the liquid fuel. We demonstrate the applicability of this approach by developing high accuracy Reynolds-Averaged Navier–Stokes (RANS) models (averaged flow error less than 5%) for a low and a large aspect ratio in a Backward-Facing Step (BFS) section particularly challenging for RANS models. The newly developed turbulence models better capture the flow field after the boundary layer tipping, over the extent of the recirculation bubble, and near the boundary layer reattachment region in both BFS configurations. The main reason for these improvements is that the developed models better capture the flow field turbulent anisotropy in the bulk region of the BFS. Then, we illustrate the interest in using this turbulence modeling approach for the case of an MSFR by quantifying the impact of the turbulence modeling on the reactor key parameters.

42 ENGINEERING↗

Large-Scale Optimization for Bayesian Inference in Complex Systems

The SAGUARO (Scalable Algorithms for Groundwater Uncertainty Analysis and Robust Optimization) Project focused on the development of scalable numerical algorithms for large-scale Bayesian inversion in complex systems that capitalize on advances in large-scale simulation-based optimization and inversion methods. The project was a collaborative effort among MIT, the University of Texas at Austin, Georgia Institute of Technology, and Sandia National Laboratories. The research was directed in three complementary areas: efficient approximations of the Hessian operator, reductions in complexity of forward simulations via stochastic spectral approximations and model reduction, and employing large-scale optimization concepts to accelerate sampling. The MIT₋Sandia component of the SAGUARO Project addressed the intractability of conventional sampling methods for large-scale statistical inverse problems by devising reduced-order models that are faithful to the full-order model over a wide range of parameter values; sampling then employs the reduced model rather than the full model, resulting in very large computational savings. Results indicate little effect on the computed posterior distribution. On the other hand, in the Texas₋Georgia Tech component of the project, we retain the full-order model, but exploit inverse problem structure (adjoint-based gradients and partial Hessian information of the parameter-to-observation map) to implicitly extract lower dimensional information on the posterior distribution; this greatly speeds up sampling methods, so that fewer sampling points are needed. We can think of these two approaches as "reduce then sample" and "sample then reduce." In fact, these two approaches are complementary, and can be used in conjunction with each other. Moreover, they both exploit deterministic inverse problem structure, in the form of adjoint-based gradient and Hessian information of the underlying parameter-to-observation map, to achieve their speedups.

97 MATHEMATICS AND COMPUTING↗

Topology for Statistical Modeling of Petascale Data

Many commonly used algorithms for mathematical analysis do not scale well enough to accommodate the size or complexity of petascale data produced by computational simulations. The primary goal of this project is to develop new mathematical tools that address both the petascale size and uncertain nature of current data. At a high level, the approach of the entire team involving all three institutions is based on the complementary techniques of combinatorial topology and statistical modelling. In particular, we use combinatorial topology to filter out spurious data that would otherwise skew statistical modelling techniques, and we employ advanced algorithms from algebraic statistics to efficiently find globally optimal fits to statistical models. The overall technical contributions can be divided loosely into three categories: (1) advances in the field of combinatorial topology, (2) advances in statistical modelling, and (3) new integrated topological and statistical methods. Roughly speaking, the division of labor between our 3 groups (Sandia Labs in Livermore, Texas A&M in College Station, and U Utah in Salt Lake City) is as follows: the Sandia group focuses on statistical methods and their formulation in algebraic terms, and finds the application problems (and data sets) most relevant to this project, the Texas A&M Group develops new algebraic geometry algorithms, in particular with fewnomial theory, and the Utah group develops new algorithms in computational topology via Discrete Morse Theory. However, we hasten to point out that our three groups stay in tight contact via videconference every 2 weeks, so there is much synergy of ideas between the groups. The following of this document is focused on the contributions that had grater direct involvement from the team at the University of Utah in Salt Lake City.

97 MATHEMATICS AND COMPUTING↗

Dose optimization of an adjuvanted peptide-based personalized neoantigen melanoma vaccine

The advancements in next-generation sequencing have made it possible to effectively detect somatic mutations, which has led to the development of personalized neoantigen cancer vaccines that are tailored to the unique variants found in a patient’s cancer. These vaccines can provide significant clinical benefit by leveraging the patient’s immune response to eliminate malignant cells. However, determining the optimal vaccine dose for each patient is a challenge due to the heterogeneity of tumors. To address this challenge, we formulate a mathematical dose optimization problem based on a previous mathematical model that encompasses the immune response cascade produced by the vaccine in a patient. We propose an optimization approach to identify the optimal personalized vaccine doses, considering a fixed vaccination schedule, while simultaneously minimizing the overall number of tumor and activated T cells. To validate our approach, we perform in silico experiments on six real-world clinical trial patients with advanced melanoma. We compare the results of applying an optimal vaccine dose to those of a suboptimal dose (the dose used in the clinical trial and its deviations). Our simulations reveal that an optimal vaccine regimen of higher initial doses and lower final doses may lead to a reduction in tumor size for certain patients. Our mathematical dose optimization offers a promising approach to determining an optimal vaccine dose for each patient and improving clinical outcomes.

59 BASIC BIOLOGICAL SCIENCES↗

A New Shape Optimization Approach for Lightweighting Electric Machines Inspired by Additive Manufacturing

Minimizing the mass in electric machines while maintaining superior performance is a new requirement for the advancement of drivetrains used in wind energy and electric mobility. Topology optimization (TO) for lightweighting electric machines using traditional approaches typically explores a restricted design space allowed by standard parametrizable geometry and manufacturing, while advanced methods, such as cell-based density approaches, suffer from a lack of robust manufacturability constraints during the optimization process. To overcome these drawbacks, we explore a grid-independent, boundary optimization where the outer shape of the magnet is parameterized using Bezier curves. We conduct a design of experiments (DOE) to study the effect of different magnet shapes on machine performance by varying the control points on the Bezier curves. A machine-learning-based surrogate model is constructed using the data from the DOE to quantify the relationship between the control points, air-gap torque, and mass. The control points are then optimized to maximize the torque density. The approach is used for minimizing electrical steel mass in the International Energy Agency (IEA) 15-MW radial flux direct-drive wind turbine generator. The new approach to shape optimization resulted in smooth and concise shapes that can be easily additively manufactured with up to a 20-ton reduction in electrical steel mass.

additive manufacturing↗

A Boundary Topology Optimization Approach for Lightweighting Electric Machines Inspired by Additive Manufacturing

Minimizing the mass in electric machines while maintaining superior performance has become a new requirement for the advancement of drivetrains used in wind energy and electric mobility. Topology optimization for light-weighting electric machines using traditional approaches typically explore a restricted design space allowed by standard parametrizable geometry and manufacturing, while advanced methods like cell-based density approaches suffer from a lack of robust manufacturability constraints during the optimization process. To overcome these drawbacks, we explore a grid-independent, boundary TO where the outer shape of the magnet is parameterized using Bezier curves. We conduct a design of experiments (DOE) to study the effect of different magnet shapes on machine performance by varying the control points on the Bezier curves. A machine-learning based surrogate model is constructed using the data from the DOE to quantify the relationship between the control points, air-gap torque and mass. The control points are then optimized to maximize the torque density. The approach is used for minimizing electrical steel mass in the IEA-15MW radial flux direct-drive wind turbine generator. The free-from boundary TO resulted in smooth and concise shapes that can be easily additively manufactured with upto 20-ton reduction in electrical steel mass.

additive manufacturing↗

Validation and optimization of batch and continuous particle separation processes

Recent advances in simulation capabilities coupled with advanced manufacturing can be leveraged to create highly efficient compact reactors with low emissions, low cost, high reliability, and high flexibility for energy conversion. This type of reactor is especially important for conversion of bio-mass, a storable, renewable and fast-growing energy source, considering the distributed nature of raw material and cost of biomass collection and transportation. To achieve this goal, it is critical to developing new process technologies that are significantly more efficient than traditional processes for which the added manufacture provides a fast way of realization and evaluation. Based upon the flagship MFiX multiphase computational fluid dynamic software suite, NETL has developed an Optimization Toolset to facilitate the CFD simulation based reactor design and optimization, and process intensification. This technical report presents the recent development and application of the Optimization Toolset and the framework for process optimization of particle separation in batch and continuous processes. In these processes, a fluidized bed reactor under proper operating condition was used to separate particles of different physical properties. MFiX-DEM simulations were conducted for a batch system to simulate the process covering a wide range of superficial gas velocities from which the optimal operational parameter can be determined through analyzing the system response. After successful demonstration of the framework, a continuous system for particle separation was designed based on CFD simulations. Similar optimization exercises were conducted for the continuous particle separation considering multiple operating parameters. The design was then fabricated in the laboratory through 3D printing for testing. The particle separation performance was carefully measured through high-speed video for particle tracking. Quantitative comparison between numerical results and experimental measurements were conducted for confirmation and validation.

30 DIRECT ENERGY CONVERSION↗

Insights into Constraining Rate Coefficients in Fuel Oxidation Mechanisms Using Genetic Algorithm Optimization

Accurate fuel oxidation mechanisms can enable predictive capabilities that aid in advancing combustion technologies. High-level computational kinetics can yield reasonable rate coefficients with uncertainties, in some cases, below a factor of 2. Computed rate coefficients can be constrained further by optimizing against experimental data. Here, we explore the application of genetic algorithm (GA) optimization to constrain computed rate coefficients in complex fuel oxidation mechanisms in conjunction with temperature-dependent species mole fractions from jet-stirred reactor (JSR) measurements. Cyclohexane is a model candidate for understanding the reactivity of cyclic fuels. In this work, we optimize the rate coefficients of the most recent literature cyclohexane mechanism, which incorporates theoretically computed rate coefficients for the reaction networks stemming from the first and second O 2 addition pathways, against the experimental results of two separate literature JSR studies. Optimization consistency is evaluated by carrying out three GA optimizations: fitting to the temperature-dependent species mole fractions in each JSR experiment separately and simultaneously fitting the species mole fractions in both experiments. Local sensitivity analyses are used to identify five influential low-temperature oxidation reactions for optimization. Although the three optimizations do not yield identical rate coefficients, the direction of change in all five rate coefficients is consistent among the three optimizations. Performance of the models from the three optimizations is assessed against literature ignition delay times with differences in the level of agreement observed among the different optimizations. In conclusion, comparisons are made with our recent optimization work of a cyclopentane oxidation master-equation model against time-resolved species concentrations, and insights and improvements of the strategy for constraining rate coefficients using GA optimization are discussed.

33 ADVANCED PROPULSION SYSTEMS↗

A New Shape Optimization Approach for Lightweighting Electric Machines Inspired by Additive Manufacturing: Preprint

Minimizing the mass in electric machines while maintaining superior performance is a new requirement for the advancement of drivetrains used in wind energy and electric mobility. Topology optimization (TO) for lightweighting electric machines using traditional approaches typically explores a restricted design space allowed by standard parametrizable geometry and manufacturing, while advanced methods, such as cell-based density approaches, suffer from a lack of robust manufacturability constraints during the optimization process. To overcome these drawbacks, we explore a grid-independent, boundary TO where the outer shape of the magnet is parameterized using Bezier curves. We conduct a design of experiments (DOE) to study the effect of different magnet shapes on machine performance by varying the control points on the Bezier curves. A machine-learning-based surrogate model is constructed using the data from the DOE to quantify the relationship between the control points, air-gap torque, and mass. The control points are then optimized to maximize the torque density. The approach is used for minimizing electrical steel mass in the International Energy Agency (IEA) 15-MW radial flux direct-drive wind turbine generator. The free-form boundary TO resulted in smooth and concise shapes that can be easily additively manufactured with up to a 20-ton reduction in electrical steel mass.

additive manufacturing↗

Predicting Initial Trans-Membrane Pressure for Optimized Operations in UF Unit Using Random Forest

With the growing scarcity of freshwater, innovative process design mechanisms like Ultra-filtration(UF) units are increasingly gaining attention among water treatment utilities to address the rising demand. Ensuring reliable water production necessitates efficient resource utilization, minimizing downtime in UF systems. Recent advancements in machine learning (ML) have enabled the development of accurate data-driven models for Model Predictive Control (MPC), often requiring minimal prior knowledge of underlying physical processes. In this study, we present predictive regression models based on Random Forest (RF) and Auto-Regressive (AR) approaches to forecast the initial Trans-Membrane Pressure (TMP) for each filtration cycle in data generated by Direct Potable Reuse (DPR) systems. The proposed RF-based model demonstrates superior performance compared to baseline methods, including historical mean, Last Observation Carried Forward (LOCF), and naïve AR models, across various forecasting horizons in terms of root mean square (RMSE) metric. Accurate prediction of initial TMP is critical for optimizing CCRO operations, as it enables the development of robust modelling frameworks that enhance process efficiency and reliability. The demonstrated efficacy of the RF-based approach highlights its potential as a tool for real-time decision-making in water treatment systems, paving the way for advanced process optimization and sustainable water resource management.

Mukherjee, Subrata [ORNL] (ORCID:0000000309930338)↗

Water‐Assisted Liftoff of Polycrystalline CdS/CdTe Thin Films Using Heterogeneous Interfacial Engineering

Abstract Recent advances in device design and process optimizations have enabled the production of CdTe devices on flexible substrates, but the necessary high‐temperature processing (>450 °C) to recrystallize grains limits the use of alternative lightweight substrates. Here, a new synthesis method is reported to create a freestanding CdS/CdTe film by combining high‐temperature depositions (CdS/CdTe on Si/SiO 2 ) and a simple lift‐off process in a water environment at room temperature. Analysis of the results indicate that the delamination is facilitated by the innate lattice mismatch as well as the presence of an unexpected Te‐rich layer (≈20 nm), which accumulates on the SiO 2 surface. High‐resolution electron microscopy and spectroscopy measurements confirm that the CdS/CdTe film is physically liberated from the substrate without leaving any residue, while also preserving their initial structural and compositional properties.

Magginetti, David J.↗

High-precision control of tracked field robots in the presence of unknown traction coefficients

Accurate steering through crop rows that avoids crop damage is one of the most important tasks for agricultural robots utilized in various field operations, such as monitoring, mechanical weeding, or spraying. In practice, varying soil conditions can result in off-track navigation due to unknown traction coefficients so that it can cause crop damage. To address this problem, this work presents the development, application, and experimental results of a real-time receding horizon estimation and control (RHEC) framework applied to a fully autonomous mobile robotic platform to increase its steering accuracy. Recent advances in cheap and fast microprocessors, as well as advances in solution methods for nonlinear optimization problems, have made nonlinear receding horizon control (RHC) and receding horizon estimation (RHE) methods suitable for field robots that require high-frequency (milliseconds) updates. A real-time RHEC framework is developed and applied to a fully autonomous mobile robotic platform designed by the authors for in-field phenotyping applications in sorghum fields. Nonlinear RHE is used to estimate constrained states and parameters, and nonlinear RHC is designed based on an adaptive system model that contains time-varying parameters. The capabilities of the real-time RHEC framework are verified experimentally, and the results show an accurate tracking performance on a bumpy and wet soil field. Finally, the mean values of the Euclidean error and required computation time of the RHEC framework are equal to 0.0423 m and 0.88 ms, respectively.

42 ENGINEERING↗

Evaluation of electric vehicle component performance over eco-driving cycles

We report that battery electric vehicles (BEVs) are a critical pathway towards achieving energy independence and meeting greenhouse and criteria pollutant gas reduction goals in the current and future transportation sector. Emerging connected and automated vehicle (CAV) technologies further open the door for developing innovative applications and systems to leverage vehicle efficiency and substantially transform transportation systems. Therefore, we present a simulation study of various BEV types and compare the performance when driving on real-road drive cycles to highly optimized eco-driving cycles using advanced CAV technologies. Additionally, the results demonstrate that eco-driving has a high potential to reduce energy consumption for all types of BEVs considered. The investigated BEVs include a compact vehicle, a transit city bus, and a Class 7 delivery truck. The impact of eco-driving on conventional vehicles was also compared to comparable BEVs. Compared to the BEVs, eco-driving provides a larger reduction in the conventional vehicle's braking energy loss, and also provides conventional vehicles with greater reductions in the engine mechanical energy output but the fuel savings did not show a consistent trend among all the conventional vehicle types. As part of the study, a comprehensive EV powertrain model was developed to account for key EV components and powertrain configurations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

An approach for fast and accurate simulation of phase change material based thermal energy storage in buildings

Latent heat thermal energy storage (LHTES) has significant potential for mitigating peak electricity demand and enabling load shifting in buildings. Phase Change Material embedded heat exchangers (PCM-HX) can significantly improve energy demand management due to high storage capacity. However, PCM-HX evaluation typically depends on computationally expensive fully transient simulations, posing significant challenges for scalable system- and building-level energy assessments across different climates and system architectures. This paper presents a generalized, accurate, and computationally efficient methodology for simulating building energy systems integrated with LHTES. The PCM-HX transient performance is represented by performance maps generated using a Generalized Resistance-Capacitance Model (GRCM) that enables accurate predictions of arbitrary PCM-HXs at low computational cost. The feasibility of the proposed approach was verified using a case study considering a dual-mode heat pump-thermal energy storage (HP-TES) system simulated in Modelica with Spawn of EnergyPlus™ for a DOE prototype small office building in two locations: Tampa, FL, and International Falls, MN. The PCM-HX performance maps provided accurate predictions of PCM-HX transient behavior, with mean absolute percentage deviations within 2–4% compared to GRCM while also achieving at least 1800× reduction in computational time. Moreover, the HP-TES system achieved energy savings of up to 17.4% in Tampa, FL, and 62.2% in International Falls, MN, demonstrating the broader applicability of the proposed methodology across different climate zones. This work highlights the importance of robust PCM-HX models in enabling accurate and computationally efficient building-level simulations and enabling future research opportunities for investigating optimized HP-TES designs and advanced control strategies for grid-interactive buildings.

Modelica↗