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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Implementation of Combinatorial Optimization Techniques for Automated Fiber Placement Through Thickness Defect Stack-Up Minimization

The Computer Aided Process Planning (CAPP) module was developed to facilitate and accelerate the process planning workflow for Automated Fiber Placement (AFP). CAPP assists process planners in identifying optimal starting point locations and layup strategies for each ply of a laminate. Ply optimization operates on measurement and scoring of geometry-based defects such as gaps, overlaps, angle deviation, and steering. This paper expands on the established framework for analyzing defect stack-up through thickness of a laminate. Four different combinatorial optimization algorithms are implemented and evaluated: (1) genetic algorithm, (2) differential evolution, (3) particle swarm, and (4) greedy search. The algorithms identify the optimal combination of ply-level layup strategies, by scoring potential laminates on defect stacking, using two different objective functions. A final optimization approach is also presented which trades some performance for a large gain in efficiency. These approaches are compared to a randomized combination using a complex tool surface in a virtual case study. The result is a streamlined methodology for comparing different laminate-level manufacturing strategies and minimizing the through thickness defect stack up.

CAPP↗
NASA NTRS2005

Trade Studies for a Manned High-Power Nuclear Electric Propulsion Vehicle

Nuclear electric propulsion (NEP) vehicles will be needed for future manned missions to Mars and beyond. Candidate vehicles must be identified through trade studies for further detailed design from a large array of possibilities. Genetic algorithms have proven their utility in conceptual design studies by effectively searching a large design space to pinpoint unique optimal designs. This research combines analysis codes for NEP subsystems with genetic algorithm-based optimization. Trade studies for a NEP reference mission to the asteroids were conducted to identify important trends, and to determine the effects of various technologies and subsystems on vehicle performance. It was found that the electric thruster type and thruster performance have a major impact on the achievable system performance, and that significant effort in thruster research and development is merited.

SanSoucie, Michael↗
DOE OSTI2024

A Full-scale Demonstration of Pressurized Water Reactor Core Design Optimization using Multi-Cycle Optimization Methodology

The U.S. nuclear sector encounters a difficulty in upholding essential safety standards while also securing economic viability for continued operation. Safety stands as a pivotal factor across all facets of operations within light-water reactor nuclear power plants. Achieving economic feasibility alongside safety can be facilitated through the utilization of a risk-informed framework, exemplified by the ongoing development within the Risk-Informed Systems Analysis Pathway under the auspices of the U.S. Department of Energy's LWRS Program. This initiative advocates for a diverse array of research and development endeavors aimed at optimizing both safety and economic efficacy within nuclear power plants, particularly pertinent as many plants contemplate second license renewals. The Risk-Informed Systems Analysis Pathway has two main goals: deploy methodologies and technologies that better represent safety margins and cost and safety factors and develop advanced applications that enable cost-effective plant operation. This report assesses the potential for resolving multi-cycle plant reload challenges through real-world scenarios utilizing the Plant ReLoad Optimization (PRLO) framework. This framework offers reactor core design developers analytic tools of reactor safety and fuel performance with the assistance of artificial intelligence (AI) to enhance core design solutions. Multi-objective genetic algorithm alongside acceleration techniques is explored as an enabling technology for improving fuel efficiency while upholding safety thresholds. The demonstration of multi-cycle core design optimization is performed. This report investigates the practical application of the PRLO platform in addressing real-world core design challenges, supporting AI efforts, and contrasting outcomes with those derived from heuristic or conventional algorithms.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2010

Particle Swarm Optimization Toolbox

The Particle Swarm Optimization Toolbox is a library of evolutionary optimization tools developed in the MATLAB environment. The algorithms contained in the library include a genetic algorithm (GA), a single-objective particle swarm optimizer (SOPSO), and a multi-objective particle swarm optimizer (MOPSO). Development focused on both the SOPSO and MOPSO. A GA was included mainly for comparison purposes, and the particle swarm optimizers appeared to perform better for a wide variety of optimization problems. All algorithms are capable of performing unconstrained and constrained optimization. The particle swarm optimizers are capable of performing single and multi-objective optimization. The SOPSO and MOPSO algorithms are based on swarming theory and bird-flocking patterns to search the trade space for the optimal solution or optimal trade in competing objectives. The MOPSO generates Pareto fronts for objectives that are in competition. A GA, based on Darwin evolutionary theory, is also included in the library. The GA consists of individuals that form a population in the design space. The population mates to form offspring at new locations in the design space. These offspring contain traits from both of the parents. The algorithm is based on this combination of traits from parents to hopefully provide an improved solution than either of the original parents. As the algorithm progresses, individuals that hold these optimal traits will emerge as the optimal solutions. Due to the generic design of all optimization algorithms, each algorithm interfaces with a user-supplied objective function. This function serves as a "black-box" to the optimizers in which the only purpose of this function is to evaluate solutions provided by the optimizers. Hence, the user-supplied function can be numerical simulations, analytical functions, etc., since the specific detail of this function is of no concern to the optimizer. These algorithms were originally developed to support entry trajectory and guidance design for the Mars Science Laboratory mission but may be applied to any optimization problem.

Grant, Michael J.↗
NASA NTRS2016

Route Optimization for Offloading Congested Meter Fixes

The Optimized Route Capability (ORC) concept proposed by the FAA facilitates traffic managers to identify and resolve arrival flight delays caused by bottlenecks formed at arrival meter fixes when there exists imbalance between arrival fixes and runways. ORC makes use of the prediction capability of existing automation tools, monitors the traffic delays based on these predictions, and searches the best reroutes upstream of the meter fixes based on the predictions and estimated arrival schedules when delays are over a predefined threshold. Initial implementation and evaluation of the ORC concept considered only reroutes available at the time arrival congestion was first predicted. This work extends previous work by introducing an additional dimension in reroute options such that ORC can find the best time to reroute and overcome the 'firstcome- first-reroute' phenomenon. To deal with the enlarged reroute solution space, a genetic algorithm was developed to solve this problem. Experiments were conducted using the same traffic scenario used in previous work, when an arrival rush was created for one of the four arrival meter fixes at George Bush Intercontinental Houston Airport. Results showed the new approach further improved delay savings. The suggested route changes from the new approach were on average 30 minutes later than those using other approaches, and fewer numbers of reroutes were required. Fewer numbers of reroutes reduce operational complexity and later reroutes help decision makers deal with uncertain situations.

Optimized Route Capability↗
NASA NTRS1974

Study of genetic direct search algorithms for function optimization

The results are presented of a study to determine the performance of genetic direct search algorithms in solving function optimization problems arising in the optimal and adaptive control areas. The findings indicate that: (1) genetic algorithms can outperform standard algorithms in multimodal and/or noisy optimization situations, but suffer from lack of gradient exploitation facilities when gradient information can be utilized to guide the search. (2) For large populations, or low dimensional function spaces, mutation is a sufficient operator. However for small populations or high dimensional functions, crossover applied in about equal frequency with mutation is an optimum combination. (3) Complexity, in terms of storage space and running time, is significantly increased when population size is increased or the inversion operator, or the second level adaptation routine is added to the basic structure.

Zeigler, B. P.↗
DOE OSTI2025

A matheuristic for design and dispatch of a utility-connected distributed energy system

Modeling distributed power generation systems often requires complicated mathematical expressions that present challenges for commercial optimization solvers. Here, this paper presents a matheuristic to solve a mixed-integer optimization model that informs decisions regarding the design and dispatch of a utility-connected microgrid. We deploy a genetic algorithm to search the system design space and a linear program to solve the economic dispatch problem. The model is a component of a web tool that requires solutions within a few minutes. Our method yields objective function values within 5% of an exogenously produced optimal in fewer than 30 seconds for 90% of our test cases compared to only 10% of our test cases by a traditional optimization solver in the same amount of time.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Targeted Chemical Looping Materials Discovery by an Inverse Design

Chemical looping with oxygen uncoupling (CLOU) materials is actively sought for combustion of carbonaceous materials to achieve complete conversion and capture of carbon dioxide. These materials may play a vital role in reducing atmospheric carbon via negative carbon output. However, there is no one‐size‐fits‐all approach as different operating conditions and feedstocks may require different CLOU materials. As a result, the exploration and discovery of high‐performance CLOU materials can be a slow process. To address this challenge, a high‐throughput inverse machine learning workflow that identifies optimum materials from perovskite oxides for a given set of targets is developed—temperature and Gibbs free energy of oxygen formation. The model is trained on high‐throughput density functional theory calculations of CLOU materials and inverts the materials design process using a genetic algorithm to produce realistic substituted SrFeO 3‐δ compositions as output. Using the inverse model, it is able to identify several interesting new families of CLOU materials: Sr 1‐ x A x Fe 1‐ y B y O 3‐δ (e.g., A = Ca or K; B = Mg, Bi, Mn, Ni, Co, Cu, or Zn). These materials have shown promising properties, and some of them even outperform the benchmark material in terms of oxygen release kinetics under relevant CLOU operating conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Extreme Longitudinal Compression of Optimized Beams for MEV Ultrafast Electron Diffraction (Final Technical Report)

We worked out the design of a high repetition rate MeV energy ultrafast electron diffraction instrument based on the existing Cornell photoinjector, which can readily be applied to the presented findings. This example is a blueprint of other similarly arranged UED setups. Using particle tracking simulations in conjunction with multiobjective genetic algorithm optimization, we explored the smallest bunch lengths, emittance, and probe spot sizes achievable. As two limits, we defined stroboscopic conditions (with single electrons per pulse) and operation with 10 5 electrons per bunch which may be suitable for single-shot diffraction images. In the stroboscopic case, the flexibility provided by the many cavity bunching and acceleration allows for longitudinal phase space linearization without a higher harmonic field, providing sub-fs bunch lengths at the sample. Given low emittance photoemission conditions, these small bunch lengths can be maintained with probe transverse sizes at the single micron (1 μm) scale and below. In the case of 10 5 electrons per pulse, we simulated state-of-the-art 5D brightness conditions: rms bunch lengths of 10 fs with 3-nm normalized emittances, while permitting repetition rates as high as 1.3 GHz. We showed that in conjunction with collimating apertures, a novel focusing scheme achieves very high-quality emittance compensation for the central core of the beam composing 40% of particles, for a resulting beam size of 5 μm (rms). Finally, to aid in the design of new SRF-based ultrafast electron diffraction machines, we simulated the trade-off between the number of cavities used and achievable bunch length and emittance. In the longitudinal dimension, we made use of the fact that MeV UED requires much lower energy than the 15-MeV maxi mum energy of Cornell’s CBETA injector, and we may therefore use several of the SRF cavities for bunch length compression. In practice, we used a genetic optimization algorithm to choose the phases and amplitudes of the cavities appropriately for optimal bunching. In the zero space charge case, we found that bunching and acceleration are distributed across the six cavities in a way that produces a linearizing effect. And we showed that the ultimate bunch length can be limited by time-of-flight differences arising from transverse size and transverse momentum spread. The space charge code developed and used for this development is now permanent part of the Bmad accelerator simulation code and has already contributed to other developments, e.g., for the EIC electron cooler design.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Tutorial: Machine-Learning-Based CREASE-2D Analysis of 2D SAXS Profiles to Characterize Anisotropic Nanostructures in Soft Materials

We present a tutorial to guide users on how to extend the Computational Reverse Engineering Analysis of Scattering Experiments-2D (CREASE-2D) framework to interpret their experimental two-dimensional small-angle scattering (SAS) data from soft materials (e.g., polymers, peptide amphiphiles, biomolecular fibrils). Unlike most traditional SAS analysis approaches, which typically rely on azimuthally averaged onedimensional (1D) profiles, CREASE-2D utilizes the complete 2D scattering profile to reveal information about anisotropy in the structure. In past applications, CREASE has provided insights into complex structural features, including the cross-sectional shapes of assembled nanostructures and dispersity in these features, which are difficult to discern with existing analytical models. While (1D- ) CREASE has been applied to SANS and SAXS data, this tutorial shares the steps for implementing CREASE-2D using an example of a dipeptide solution system, for which we have SAXS data. We present details for these steps involved in using CREASE-2D to interpret SAXS profiles: how to preprocess SAXS data, define relevant structural features, generate three-dimensional real-space structures for specific values of these features, train a machine learning (ML) surrogate model to predict scattering profiles for given structural features, and optimize these features using genetic algorithms (GA). Then, we use these steps to interpret complex 2DSAXS data collected from dipeptide solutions that, in microscopy images, exhibit nanoscale structures that could be elliptical tubes/ flat tapes/cylinders or a combination of these cross sections. Open-source codes, computational hardware, and software requirements, as well as the strengths and limitations of this protocol, are also presented. We expect researchers working with (soft) biomaterials, peptide amphiphiles, amphiphilic polymer solutions, polymer nanocomposites, and blends of particles/polymers will find this CREASE-2D method and this tutorial of use.

CREASE↗
DOE OSTI2025

Multi-Objective Optimization of Uranium Target Assembly–3: A Comparison of Genetic and Traditional Methods

Commonly produced as a byproduct of uranium fission, 99 Mo is a key medical isotope that is in high demand in the United States. An international goal is to switch from medical isotope production technologies that require highly enriched uranium to medical isotope production technologies that require only low-enriched uranium. Niowave Inc. is contributing to this goal by developing an accelerator-driven subcritical assembly called the Uranium Target Assembly (UTA). This work compares the performance of Dakota’s Multi-Objective Genetic Algorithm (MOGA) against traditional sensitivity analysis in the neutronic optimization of the UTA-3 system. The design objectives are k-eigenvalue (k eff ) and natural uranium fission power, which are directly correlated with the amount of 99 Mo produced. Dakota:MOGA did not perform as well as human engineering ingenuity in optimization studies with high numbers of input parameters, such as fuel rod type selection and fuel rod placement. However, Dakota:MOGA did outperform traditional sensitivity analysis in optimization studies with fewer than 20 parameters and revealed the degree to which each parameter influences the optimal design space for k eff and natural uranium fission power (to a lesser extent). As the design model became more complex in the final stage of design, the computational resources required to calculate the design objective values in the Monte Carlo N-Particle transport code from selected input parameter combinations limited Dakota:MOGA’s performance, and, unfortunately, human intervention was required to discern the optimal design space. In conclusion, future work will attempt to reduce computational resource constraints by incorporating areduced-order neutronics model into the optimization cycle.

Accelerator-driven systems↗
DOE OSTI2026

Optimizing pressurized-water reactor equilibrium cycle using a novel loading pattern encoding and rule-based genetic crossover operators

This work presents an extended multi-batch approach applied in shuffling scheme optimization for equilibrium cycle for pressurized water reactors using Genetic Algorithms (GAs). A new ruled based GA crossover operator called Inherited Location and Batch (ILB) was introduced to enhance offsprings reproduction efficiency specialized for equilibrium cycle optimization problem. This approach was implemented within the Plant ReLoad Optimization (PRLO) framework and validated using a generic reactor model based on the AP1000 design, with core parameters calculated via the CASMO/SIMULATE software package. The ILB approach is then applied for both single and multi-objective problems in maximizing cycle length and core average exposure while minimizing the average enrichment of the 57 fresh fuel assemblies (FAs) per cycle. The optimal solutions are selected based on their dominance to the objectives from all feasible solutions. This research identified three optimal solutions satisfied safety constraints: The first solution minimizes feed enrichment costs with a cycle length of 338.8 days and core exposure of 25.39 MWd/MT; the second solution extends cycle length to 361.2 days, with the highest core exposure of 26.84 MWd/MT, using 3.75 wt% average fuel enrichment; the third solution balances both objectives with a cycle length of 349.6 days, core exposure of 25.82 MWd/MT with a slight enrichment increase compared to the first solution. Collectively, these findings underscore the efficiency and effectiveness of the proposed approach in achieving practical multi-objective optimal equilibrium cycle designs using GAs optimizer.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Predicting interface structure using the minima hopping method

Here, we adapt the minima hopping method (MHM) to the problem of interfacial structure prediction and apply it to study a canonical problem, the tilt grain boundaries in SrTiO 3 . Our method employs a hybrid approach by first exploring the potential energy surface (PES) of different grain boundary samplings with an empirical force field, among which the fifteen candidates with lower energies are then refined using ab initio density functional theory (DFT) calculations. During the exploratory stage, we bias the search using a local order parameter to primarily sample various reconstructions in the vicinity of the interface, while preserving the crystallinity of the bulk regions. We further enhance the search by incorporating initial structures with rigid body displacements to account for translational variations between bulk phases, enabling the MHM to effectively generate both stoichiometric and nonstoichiometric SrTiO 3 Σ⁢3(111)[110] and Σ⁢3(112)[110] grain boundaries. From an algorithmic standpoint, MHM outperforms earlier studies based on genetic algorithms (GA) by identifying more stable interfacial structures of several SrTiO 3 grain boundaries. The performance of the present implementation of the MHM approach is primarily limited by exploring an approximate description of the PES with a rather simple Buckingham potential. This limitation leads to variations in performance when compared to approaches utilizing more advanced surrogate PES models, such as direct DFT-PES sampling or GA with the embedded atom method (EAM). Despite the present limitations, the MHM approach is able to yield interfacial structures with comparable or lower interfacial energies in specific cases, such as Σ⁢3(111)[110] Γ=1, ±0.5 and Σ⁢3(112)[110] Γ= ±1, −2, underscoring the robustness of the MHM approach even with a simple approximation of the DFT PES. The MHM interfacial structure prediction method thus offers an efficient approach to understanding the grain boundaries and heterointerfaces at the atomic scale, providing an important prerequisite for effective materials design.

density functional theory↗
DOE OSTI2025

XES_Neo_Public

XES Neo is a fitting software that was based on the already approved EXAFS Neo genetic algorithm fitting software code. Using the principles of genetics, data fitting is done for x-ray emission spectroscopy data. Using the EXAFS Neo open source code, as well as the open source xes_neo code written by other collaborators, a new final repository for XES Neo was created with several necessary changes for general user use.

Humiston, Alaina [Los Alamos National Laboratory]↗
NASA NTRS2012

Optimal Integration of Departure and Arrivals in Terminal Airspace

Coordination of operations with spatially and temporally shared resources such as route segments, fixes, and runways improves the efficiency of terminal airspace management. Problems in this category include scheduling and routing, thus they are normally difficult to solve compared with pure scheduling problems. In order to reduce the computational time, a fast time algorithm formulation using a non-dominated sorting genetic algorithm (NSGA) was introduced in this work and applied to a test case based on existing literature. The experiment showed that new method can solve the whole problem in fast time instead of solving sub-problems sequentially with a window technique. The results showed a 60% or 406 second delay reduction was achieved by sharing departure fixes (more details on the comparison with MILP results will be presented in the final paper). Furthermore, the NSGA algorithm was applied to a problem in LAX terminal airspace, where interactions between 28% of LAX arrivals and 10% of LAX departures are resolved by spatial segregation, which may introduce unnecessary delays. In this work, spatial segregation, temporal segregation, and hybrid segregation were formulated using the new algorithm. Results showed that spatial and temporal segregation approaches achieved similar delay. Hybrid segregation introduced much less delay than the other two approaches. For a total of 9 interacting departures and arrivals, delay reduction varied from 4 minutes to 6.4 minutes corresponding flight time uncertainty from 0 to 60 seconds. Considering the amount of flights that could be affected, total annual savings with hybrid segregation would be significant.

high density terminal↗
NASA NTRS2013

Optimal Integration of Departures and Arrivals in Terminal Airspace

Coordination of operations with spatially and temporally shared resources, such as route segments, fixes, and runways, improves the efficiency of terminal airspace management. Problems in this category are, in general, computationally difficult compared to conventional scheduling problems. This paper presents a fast time algorithm formulation using a non-dominated sorting genetic algorithm (NSGA). It was first applied to a test problem introduced in existing literature. An experiment with a test problem showed that new methods can solve the 20 aircraft problem in fast time with a 65% or 440 second delay reduction using shared departure fixes. In order to test its application in a more realistic and complicated problem, the NSGA algorithm was applied to a problem in LAX terminal airspace, where interactions between 28% of LAX arrivals and 10% of LAX departures are resolved by spatial separation in current operations, which may introduce unnecessary delays. In this work, three types of separations - spatial, temporal, and hybrid separations - were formulated using the new algorithm. The hybrid separation combines both temporal and spatial separations. Results showed that although temporal separation achieved less delay than spatial separation with a small uncertainty buffer, spatial separation outperformed temporal separation when the uncertainty buffer was increased. Hybrid separation introduced much less delay than both spatial and temporal approaches. For a total of 15 interacting departures and arrivals, when compared to spatial separation, the delay reduction of hybrid separation varied between 11% or 3.1 minutes and 64% or 10.7 minutes corresponding to an uncertainty buffer from 0 to 60 seconds. Furthermore, as a comparison with the NSGA algorithm, a First-Come-First-Serve based heuristic method was implemented for the hybrid separation. Experiments showed that the results from the NSGA algorithm have 9% to 42% less delay than the heuristic method with varied uncertainty buffer sizes.

terminal airspace↗