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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Extension of an Object-Oriented Optimization Tool: User's Reference Manual

The National Aeronautics and Space Administration Armstrong Flight Research Center has developed a cost-effective and flexible object-oriented optimization (O (sup 3)) tool that leverages existing tools and practices and allows easy integration and adoption of new state-of-the-art software. This object-oriented framework can integrate the analysis codes for multiple disciplines, as opposed to relying on one code to perform analysis for all disciplines. Optimization can thus take place within each discipline module, or in a loop between the O (sup 3) tool and the discipline modules, or both. Six different sample mathematical problems are presented to demonstrate the performance of the O (sup 3) tool. Instructions for preparing input data for the O (sup 3) tool are detailed in this user's manual.

Multidisciplinary design optimization↗
NASA NTRS1978

Design of transonic airfoil sections using a similarity theory

A study of the available methods for transonic airfoil and wing design indicates that the most powerful technique is the numerical optimization procedure. However, the computer time for this method is relatively large because of the amount of computation required in the searches during optimization. The optimization method requires that base and calibration solutions be computed to determine a minimum drag direction. The design space is then computationally searched in this direction; it is these searches that dominate the computation time. A recent similarity theory allows certain transonic flows to be calculated rapidly from the base and calibration solutions. In this paper the application of the similarity theory to design problems is examined with the object of at least partially eliminating the costly searches of the design optimization method. An example of an airfoil design is presented.

Nixon, D.↗
NASA NTRS2019

Optical Array Versus Monolithic Telescope Ground Station Cost Assessment

The purpose of this study is to outline the design of an optimal array of optical telescopes to emulate performance of a monolithic 12 m telescope in support of deep-space communications. In this case, optimal means minimizing the initial capital investment and operational cost while maintaining performance requirements of the deep-space link. The design is approached from a practical, engineering perspective. Pulse position modulation (PPM) signal formatting and photon counting detectors are assumed at each telescope in the array. That is, the telescopes function as so-called light buckets, so direct detection (as opposed to coherent reception) of the received signals is assumed, and there is no intention to consider active compensation for atmospheric turbulence-induced phase fluctuations. A parametric analysis among aperture size, detector size, and primary mirror surface quality, in the context of field-of-view expansion, is presented to minimize the cost function.

Romanofsky, Robert R.↗
DOE OSTI2026

Developing a Framework for Valuation of Grid Services

The electric system is rapidly evolving and growing, raising new questions about how to define and value grid services delivered by a diverse set of resources, including customer-owned assets. This report advances a service–parameter–value framework that links what a grid service does to why it matters, and how its benefits are evidenced. We build upon prior efforts (Bender et al. 2021) and extend them to include value categories (reliability, resilience, cost & access, and security) with primary and secondary tiers, service-specific value streams that explain how benefits materialize, and metrics that make valuation traceable and comparable. We apply the framework to the six core grid services defined in (Kolln et al. 2023): Frequency Response, Regulation, Reserves, Energy, Voltage Management, and Blackstart and demonstrate it on three use cases to highlight the adaptability of these value streams. Further, we outline how the framework integrates with existing tools such as asset optimization, hosting capacity and cost-benefit analysis, and propose a path to portable qualifications and consistent stacking rules for use in tariffs and filings. Finally, we identify future pathways for research and application research needs to support standardization and decision-ready comparisons across services, assets, and architectures.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Potential Adoption and Benefits of Co-Optimized Multimode Engines and Fuels for U.S. Light-Duty Vehicles

Exploring a diverse portfolio of technologies for decarbonization is crucial to understanding the potential impacts of different technological solutions and their associated environmental implications. Using high-octane, high-sensitivity biofuel blends in co-optimized multimode engines can increase engine efficiency and reduce vehicle emissions. Here, the multimode engine research focuses on the benefits of light-duty vehicle engines, which can operate in multiple modes depending on the vehicle's load. Low-temperature combustion can improve efficiency and reduce emissions (such as those from oxides of nitrogen and particulate matter) during low-load operation, while spark ignition performance is maintained in high-load operation. These advanced engines can be optimized to run on blends of biobased fuels. This analysis models scenarios for potential market adoption of co-optimized multimode vehicles fueled by three different bioblendstocks: ethanol, isopropanol, and isobutanol. An integrated modeling approach is used to forecast the energy and environmental impacts of the deployment of co-optimized multimode vehicles and fuels in the light-duty sector over the 2020-to-2050 time horizon. The multidisciplinary approach combines vehicle sales modeling, system dynamics modeling of the biorefining industry, and life cycle assessment to estimate the emissions and energy benefits. The models consider market forces such as consumer preferences for vehicle attributes, biofuel supply and demand dynamics subject to biorefinery capacity build-out and bioresource constraints, and forecasted changes to the U.S. bulk energy system over time. Market adoption of co-optimized vehicles is evaluated across a wide parameter space for incremental vehicle cost and engine efficiency improvement. This analysis reveals that the deployment of co-optimized multimode fuels and vehicles results in up to a 5% reduction in annual sector-wide life cycle greenhouse gas (GHG) emissions by 2050, relative to a business-as-usual scenario, but is also indicates environmental trade-offs, such as higher life cycle water-use. Emission benefits could potentially increase beyond 2050, as the new technologies penetrate the market and gain a foothold. Results also show that, under certain circumstances, vehicles with engines co-optimized for use with high-octane, high-sensitivity biofuel blends can be cost-competitive with conventional gasoline, while reducing GHG emissions. Our modeling results indicate that co-optimized multimode fuels and engines can be strategically leveraged in tandem with electrification to decarbonize the light-duty sector. Co-optimized vehicles could play a role in the early years of the time horizon, while electric vehicles (EVs) could become more competitive in the later years, highlighting the complementary benefits of these technologies for GHG reductions.

Oke, Doris↗
DOE OSTI2021

Analysis and Optimization of a Novel Hexagonal Waveguide Concentrator for Solar Thermal Applications

This paper analyzes a novel, cost-effective planar waveguide solar concentrator design that is inspired by cellular hexagonal structures in nature with the benefits of facile installation and low operation and maintenance cost. A coupled thermal and optical analysis of solar irradiation through an ideal hexagonal waveguide concentrator integrated with a linear receiver is presented, along with a cost analysis methodology, to establish the upper limit of performance. The techno-economic model, coupled with numerical optimization, is used to determine designs that maximized power density and minimized the cost of heat in the temperature range of 100–250 °C, which constitutes more than half of the industrial process heat demand. Depending on the incident solar irradiation and the application temperature, the cost of heat for the optimal design configuration ranged between 0.1–0.27 $/W and 0.075–0.18 $/W for waveguide made of ZK7 glass and polycarbonate, respectively. A techno-economic analysis showed the potential of the technology to achieve cost as low as 80 $/m2 and 61 $/m2 for waveguide made of ZK7 glass and polycarbonate material, respectively, which is less than half the cost of state-of-the-art parabolic trough concentrators. Overall, the hexagonal waveguide solar concentrator technology shows immense potential for decarbonizing the industrial process heat and thermal desalination sectors.

14 SOLAR ENERGY↗
DOE OSTI2026

Technoeconomic Design Optimization for Fast Reactors. Part I: Workflow Development and Case Study for Small LFR District Energy Application

The nuclear industry is developing small reactor designs that can target a variety of deployment locations and energy products. Smaller nuclear designs have traditionally struggled to handle the steep trade-offs between size and cost that have historically incentivized large reactors. This motivates computational optimization of small reactors to minimize costs and quantify the trade-off between size and cost. In this paper, the cost/size trade-off for a small fast reactor is derived using a multi-objective genetic algorithm optimization, with steady-state, transient, and cost analysis of the fast reactor being performed. Specifically, the method is demonstrated on a small 10- to 120-MW(thermal) U-Pu-Zr–fueled lead-cooled fast reactor with a 10-year core life for district energy applications, which can have a thermal load compatible with this range. The results reinforced that fast reactor cores at the lower end of this power range suffer cost penalties due to critical mass considerations. It was found that high power density cores with strong reactivity swings and many control rods were favored over designing to minimize reactivity swing. Furthermore, this contrasts with some traditional configurations designed using engineering judgment and demonstrates that optimizers can find nontraditional but realistic solutions, along with demonstrating the value of incorporating cost functions into whole-reactor design optimization.

Fast reactor↗
DOE OSTI2022

Analysis of Distributed Energy Storage as a Core Grid Infrastructure via Production Cost Modeling

Energy storage plays a pivotal role in enabling power system operation with more flexibility and resilience. Unlike current practice that considers energy storages as attached ancillary devices, this paper focuses on storages as a core infrastructure by looking at their spatial distribution in the system. A sensitivity analysis based on production cost modeling is conducted to demonstrate the benefits of distributed energy storages. First, the modeling of energy storages in production cost modeling is presented. Second, potential optimal locations of distributed energy storages in a power system are discussed. Finally, multiple scenarios with various numbers and locations of additional distributed energy storages in the WECC 2030 model are created. The production cost modeling results of these scenarios show that distributed energy storages have higher utilization compared to the centralized ES units and therefore provide significantly more benefits in terms of reduction in generation cost, emission cost, and volatility of location marginal prices. A saturation effect is observed suggesting the selection of optimal locations will further improve the benefits.

Nguyen, Quan H.↗
NASA NTRS2013

Risk-Constrained Dynamic Programming for Optimal Mars Entry, Descent, and Landing

A chance-constrained dynamic programming algorithm was developed that is capable of making optimal sequential decisions within a user-specified risk bound. This work handles stochastic uncertainties over multiple stages in the CEMAT (Combined EDL-Mobility Analyses Tool) framework. It was demonstrated by a simulation of Mars entry, descent, and landing (EDL) using real landscape data obtained from the Mars Reconnaissance Orbiter. Although standard dynamic programming (DP) provides a general framework for optimal sequential decisionmaking under uncertainty, it typically achieves risk aversion by imposing an arbitrary penalty on failure states. Such a penalty-based approach cannot explicitly bound the probability of mission failure. A key idea behind the new approach is called risk allocation, which decomposes a joint chance constraint into a set of individual chance constraints and distributes risk over them. The joint chance constraint was reformulated into a constraint on an expectation over a sum of an indicator function, which can be incorporated into the cost function by dualizing the optimization problem. As a result, the chance-constraint optimization problem can be turned into an unconstrained optimization over a Lagrangian, which can be solved efficiently using a standard DP approach.

Ono, Masahiro↗
NASA NTRS1990

Optimal dynamic remapping of data parallel computations

A large class of data parallel computations is characterized by a sequence of phases, with phase changes occurring unpredictably. Dynamic remapping of the workload to processors may be required to maintain good performance. The problem considered, for which the utility of remapping and the future behavior of the workload are uncertain, arises when phases exhibit stable execution requirements during a given phase, but requirements change radically between phases. For these situations, a workload assignment generated for one phase may hinder performance during the next phase. This problem is treated formally for a probabilistic model of computation with at most two phases. The authors address the fundamental problem of balancing the expected remapping performance gain against the delay cost, and they derive the optimal remapping decision policy. The promise of the approach is shown by application to multiprocessor implementations of an adaptive gridding fluid dynamics program and to a battlefield simulation program.

Nicol, David M.↗
DOE OSTI2024

A multifidelity Bayesian optimization method for inertial confinement fusion design

Due to their cost, experiments for inertial confinement fusion (ICF) heavily rely on numerical simulations to guide design. As simulation technology progresses, so too can the fidelity of models used to plan for new experiments. However, these high-fidelity models are by themselves insufficient for optimal experimental design, because their computational cost remains too high to efficiently and effectively explore the numerous parameters required to describe a typical experiment. Therefore, traditionally, ICF design has relied on low-fidelity modeling to initially identify potentially interesting design regions, which are then subsequently explored via selected high-fidelity modeling. In this paper, we demonstrate that this two-step approach can be insufficient: even for simple design problems, a two-step optimization strategy can lead high-fidelity searching toward incorrect regions and consequently waste computational resources on parameter regimes far away from the true optimal solution. We reveal that a primary cause of this behavior in ICF design problems is the presence of low-fidelity optima in different regions of the parameter space far away from high-fidelity optima. To address this issue, we propose an iterative multifidelity Bayesian optimization method based on Gaussian Process Regression that leverages both low- and high-fidelity models simultaneously. We demonstrate, using both two- and eight-dimensional ICF test problems, that our algorithm can effectively utilize both low-fidelity and high-fidelity models to refine the designs. This approach proves to be more efficient than relying solely on high-fidelity modeling for optimization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Coupling 1D xRAGE simulations with machine learning for graded inner shell design optimization in double shell capsules

Advances in machine learning provide the ability to leverage data from expensive simulations of high-energy-density experiments to significantly cut down on computational time and costs associated with the search for optimal target designs. This study presents an application of cutting-edge Bayesian optimization methods to the one-dimensional (1D) design optimization of double shell graded layer targets for inertial confinement fusion experiments. This investigation attempts to reduce hydrodynamic instabilities while retaining high yields for future NIF experiments. Machine learning methods can use predictive physics simulations to identify graded layer designs from within the vast design space that demonstrate high predicted performance, including novel designs with high uncertainty in performance that may hold unexpected promise. By applying machine learning tools to the simulation design, we map the trade-off between 1D yield and instability, specifically isolating parameter ranges, which maintain high performance while showing significantly improved Rayleigh–Taylor stability over the point design. Furthermore, the groundwork laid in this study will be a useful design tool for future NIF experiments with graded layer targets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1997

Automation for Air Traffic Control: The Rise of a New Discipline

The current debate over the concept of Free Flight has renewed interest in automated conflict detection and resolution in the enroute airspace. An essential requirement for effective conflict detection is accurate prediction of trajectories. Trajectory prediction is, however, an inexact process which accumulates errors that grow in proportion to the length of the prediction time interval. Using a model of prediction errors for the trajectory predictor incorporated in the Center-TRACON Automation System (CTAS), a computationally fast algorithm for computing conflict probability has been derived. Furthermore, a method of conflict resolution has been formulated that minimizes the average cost of resolution, when cost is defined as the increment in airline operating costs incurred in flying the resolution maneuver. The method optimizes the trade off between early resolution at lower maneuver costs but higher prediction error on the one hand and late resolution with higher maneuver costs but lower prediction errors on the other. The method determines both the time to initiate the resolution maneuver as well as the characteristics of the resolution trajectory so as to minimize the cost of the resolution. Several computational examples relevant to the design of a conflict probe that can support user-preferred trajectories in the enroute airspace will be presented.

Erzberger, Heinz↗
DOE OSTI2025

Robot-based Additive Manufacturing of Lego-type Modular Molds for Wind Blades

The objective of this project is to reduce the cost and lead time of horizontal wind turbine blade mold tooling and blade transportation, while maintaining the highest standards of blade quality. The solution involves a smart-design family of modular molds that are easily transportable to fabrication sites near the place of service. Key innovations include the use of additive manufacturing (AM) to integrate conformal thermal management channels, offering enhanced control over the thermal profiles tailored to specific blade materials. This approach enables in-situ quality assurance during mold fabrication, significantly improves mold life, and allows for reuse across multiple production cycles. Ultimately, the solution aims to optimize both tooling and transportation costs, contributing to the scalability of wind turbine blade production. A significant barrier to scaling up the production of large wind turbine blades lies in the high costs associated with tooling and the transportation of blades. Traditional molds are expensive, bulky, and difficult to transport, adding considerable lead time and cost to the overall manufacturing process. Additionally, transporting blades to distant locations for final assembly further exacerbates these challenges. The project aims to address these inefficiencies by demonstrating a modularized, additive-manufactured mold that meets all necessary blade specification requirements, specifically for blade lengths between 120m and 150m.

17 WIND ENERGY↗
DOE OSTI2021

Analytical gradients for molecular-orbital-based machine learning

We report molecular-orbital-based machine learning (MOB-ML) enables the prediction of accurate correlation energies at the cost of obtaining molecular orbitals. Here, we present the derivation, implementation, and numerical demonstration of MOB-ML analytical nuclear gradients, which are formulated in a general Lagrangian framework to enforce orthogonality, localization, and Brillouin constraints on the molecular orbitals. The MOB-ML gradient framework is general with respect to the regression technique (e.g., Gaussian process regression or neural networks) and the MOB feature design. We show that MOB-ML gradients are highly accurate compared to other ML methods on the ISO17 dataset while only being trained on energies for hundreds of molecules compared to energies and gradients for hundreds of thousands of molecules for the other ML methods. The MOB-ML gradients are also shown to yield accurate optimized structures at a computational cost for the gradient evaluation that is comparable to a density-corrected density functional theory calculation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Classical Preoptimization Approach for ADAPT-VQE: Maximizing the Potential of High-Performance Computing Resources to Improve Quantum Simulation of Chemical Applications

The ADAPT-VQE algorithm is a promising method for generating a compact ansatz based on derivatives of the underlying cost function, and it yields accurate predictions of electronic energies for molecules. In this work, we report the implementation and performance of ADAPT-VQE with our recently developed sparse wave function circuit solver (SWCS) in terms of accuracy and efficiency for molecular systems with up to 52 spin orbitals. The SWCS can be tuned to balance computational cost and accuracy, which extends the application of ADAPT-VQE for molecular electronic structure calculations to larger basis sets and a larger number of qubits. Using this tunable feature of the SWCS, we propose an alternative optimization procedure for ADAPT-VQE to reduce the computational cost of the optimization. Furthermore, by preoptimizing a quantum simulation with a parametrized ansatz generated with ADAPT-VQE/SWCS, we aim to utilize the power of classical high-performance computing in order to minimize the work required on noisy intermediate-scale quantum hardware, which offers a promising path toward demonstrating quantum advantage for chemical applications.

ADAPT-VQE↗
DOE OSTI2021

Optimized allocation method of the VSC-MTDC system for frequency regulation reserves considering the cost

In recent years, the interconnection of asynchronous power grids through the VSC-MTDC system has been proposed and extensively studied in light of the potential benefits of economical bulk power exchanges and frequency regulation reserves sharing. This paper proposed an optimized allocation method for sharing frequency regulation reserves among the interconnected power systems and the corresponding frequency regulation control of the VSC-MTDC system under emergency frequency deviation events. Firstly, the frequency regulation reserve classification is proposed. In the classification, the available frequency response capacity reserves of each interconnection are divided into commercial reserves and regular reserves. While the commercial reserves are procured through long-term contracts, the regular reserves are purchased based on market prices of frequency regulation services. Secondly, based on the proposed frequency regulation reserve classification, a novel frequency regulation control is then introduced for the VSC-MTDC system. This control method could minimize the costs of the disturbed power grid for the needed frequency response supports from the other power grids. Simulation verifications are performed on a modified IEEE 39 bus system and a highly reduced power system model representing the North American grids. The simulation verification indicates that the developed frequency regulation control significantly reduced ancillary service costs of the disturbed power grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

End-to-end optimization for battery materials and molecules by combining graph neural networks and reinforcement learning

The National Renewable Energy Laboratory (NREL), together with the Colorado School of Mines (CSM) and Colorado State University (CSU), has developed a machine learning-enhanced approach to design new battery materials. Currently, such materials are designed in part via numerous expensive high-fidelity computational simulations that predict the performance of a given composition. Even with computational screening tools, the vast landscape of possible molecular or crystal structures exceeds current and future computational capacity. Improving the efficiency by which new materials can be optimized will therefore disrupt the cost, risk, and time required to bring new energy solutions to the marketplace. Predicting the properties of an organic molecule or periodic crystalline material given its structure has grown increasingly common. These approaches leverage large-scale computational and experimental databases and ML approaches such as graph neural networks. The inverse design problem of finding a material that possesses desired properties is substantially more challenging, since enumerating all valid material structures is not feasible. In this project, we leveraged recent success in reinforcement learning to efficiently navigate this high-dimensional search space. Just as algorithms can find the optimal chess moves from nearly limitless options, we train an approach to evolve a simple starting structure into a complex structure that possess the desired properties. Our solution has been demonstrated by applying it to two related design application tasks for short- and long-term energy storage, respectively: (1) the design of solid-state ion conductors and (2) the design of organic redox-active materials. The project has resulted an open-source software library for material design, documented examples of applying the library to both organic and inorganic material optimization, and peer-reviewed publications detailing the data, computational models, and resulting candidate materials.

25 ENERGY STORAGE↗