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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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NASA NTRS2008

Genetic Algorithm Optimizes Q-LAW Control Parameters

A document discusses a multi-objective, genetic algorithm designed to optimize Lyapunov feedback control law (Q-law) parameters in order to efficiently find Pareto-optimal solutions for low-thrust trajectories for electronic propulsion systems. These would be propellant-optimal solutions for a given flight time, or flight time optimal solutions for a given propellant requirement. The approximate solutions are used as good initial solutions for high-fidelity optimization tools. When the good initial solutions are used, the high-fidelity optimization tools quickly converge to a locally optimal solution near the initial solution. Q-law control parameters are represented as real-valued genes in the genetic algorithm. The performances of the Q-law control parameters are evaluated in the multi-objective space (flight time vs. propellant mass) and sorted by the non-dominated sorting method that assigns a better fitness value to the solutions that are dominated by a fewer number of other solutions. With the ranking result, the genetic algorithm encourages the solutions with higher fitness values to participate in the reproduction process, improving the solutions in the evolution process. The population of solutions converges to the Pareto front that is permitted within the Q-law control parameter space.

Lee, Seungwon↗

DOE OSTI2023

Development of Genetic Algorithm Based Multi-Objective Plant Reload Optimization Platform

The U.S. nuclear industry is facing a challenge in maintaining required levels of safety while ensuring economic competitiveness to stay in business. Safety remains a key parameter for all aspects of light-water reactor nuclear power plant operations. Safety can become more economical by using a risk-informed ecosystem, such as the one being developed in the Risk-Informed Systems Analysis Pathway under the U.S. Department of Energy Light Water Reactor Sustainability Program. The Light Water Reactor Sustainability Program promotes a wide range of research and development activities to maximize both the safety and economic efficiency of nuclear power plants through improved scientific understanding, especially given that many plants are now considering 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; Develop advanced applications that enable cost-effective plant operations. The Plant Reload Optimization Platform development project aims to build a reactor core design tool that includes reactor safety and fuel performance analyses and uses artificial intelligence to support the optimization of core design solutions. This report summarizes genetic-algorithm-based multi-objective fuel reload optimization activities, specifically: Developing the non-dominated sorting genetic algorithm II optimizer in the Risk Analysis and Virtual ENviroment (RAVEN); Demonstrating and validating the developed non-dominated sorting genetic algorithm II optimizer using benchmark optimization problems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

Optimizing fluvial flood mitigation strategies: A multi-objective approach for cost-effective and socially-aware infrastructure feasibility analysis

Effective levee planning must balance capital cost, risk reduction, and community priorities. These objectives are rarely optimized together. This study presents a feasibility phase, simulationin-the-loop framework that couples terrain-based flood modeling with a socially aware multiobjective optimizer. Flood risk is measured as Expected Annual Exposed Population (EAEP), obtained by integrating exposure over Annual Exceedance Probability (AEP) nodes, mirroring the Hydrologic Engineering Center's Flood Damage Reduction Analysis (HEC-FDA) expected-annual formulation but with people rather than dollars. Exposure per scenario is computed by overlaying binary inundation masks with a population surface at the tract level. Distributional fairness is encoded through a Group Benefit Share (GBS) constraint that requires high-SVI tracts to receive at least a baseline share of annualized benefits. Capital cost is represented by a height-dependent unit-cost model suitable for screening. This study addresses the two-objective problem, minimize cost and expected annual exposure subject to the GBS constraint, using Non-Dominated Sorting Genetic Algorithm II (NSGA-II) and leveraging Pareto front for feasibility phase decision making. Implemented with terrain-based flood modeling, GeoFlood, for rapid scenario evaluation, the framework is demonstrated in Southeast Texas. The results reveal clear trade-offs among cost, risk, and social benefits and identify non-dominated levee height configurations that satisfy the benefit-share floor. The contributions are a scalable decision support method that operationalizes expected annual population-based risk, embeds enforceable benefit-sharing guarantees, and uses lightweight simulation to explore large design spaces before higher fidelity design stages.

Flood mitigation↗

DOE OSTI2019

The use of multi-objective optimization to improve the design process of nuclear power plant systems

Multi-objective optimization is proposed to address the problem of design optimality in the nuclear power plant design process. This is done via the creation/development of the Optimization and Preference Tool for the Improvement of Nuclear Systems (OPTIONS). This work details applications of multi-objective optimization methods (in Python 3) to two different nuclear system design problems: the flash-Rankine power conversion system (PCS) of the I 2 S-LWR and the Passive Endothermic Reaction Cooling System (PERCS) attached to a standard PWR primary system (in RELAP5). The PCS design problem is first solved for three configurations using a specific particle swarm optimization method, achieving a thermodynamic efficiency of 34.81%. A new method, the Mixed-Integer Non-dominated Sorting Genetic Algorithm (MI-NSGA), is created and then used, solving a PCS superstructure of 22 configurations and achieving an efficiency of 35.63%. Finally, the OPTIONS tool is used to optimize the PERCS, improving cost, core temperature control, and cooling longevity.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2025

Hybrid data-driven cement-stabilized soil design: An integration of machine learning, multi-objective optimization, and life cycle assessment

Soil stabilization is crucial in geotechnical engineering, yet conventional methods are often time-consuming, resource-intensive, and environmentally unsustainable. Despite growing interest in Machine Learning (ML) and optimization tools for mix design, few studies integrate these methods with decision-making techniques and environmental assessment to support practical implementation. This study proposes a hybrid data-driven framework for predicting strength, optimizing mix compositions, and evaluating environmental impacts via life cycle assessment of cement-stabilized soft soils. Six ML models were evaluated, and the top-performing eXtreme Gradient Boosting (XGB) model was further improved using the Grey Wolf Optimizer (GWO). The optimized XGB-GWO model, integrated with a polynomial cost function, served as the objective function in a multi-objective optimization problem solved via the Non-Dominated Sorting Genetic Algorithm II (NSGA-II), with final mix selection guided by the entropy-weighted TOPSIS method. Validation through a case study produced mix designs offering superior strength-cost trade-offs, with the optimal mix achieving 2243.2 kPa unconfined compressive strength and a 16.07 % reduction in carbon emissions compared to the highest-cost design. In conclusion, this study offers a sustainable, scalable approach to soil stabilization and supports informed decision-making in construction.

Life cycle assessment↗

DOE OSTI2025

A Computational Framework to design 3D stiffness gradient acoustic metamaterials for impedance matching

Acoustic waves play a crucial role in various applications, including medical imaging, non-destructive testing, and sonar systems. One of the significant challenges in these applications is impedance matching, which is essential for minimizing reflections and maximizing the transfer of acoustic energy between different media. Acoustic metamaterials offer a promising solution to this challenge. In addition to impedance control, gradient stiffness can enhance structural efficiency and enable spatial control of wave propagation, making it a valuable feature in acoustic metamaterial design. In this pa- per, we present our developed computational method to design 3D stiffness gradient acoustic metamaterials for impedance matching. The key steps in our approach include generating initial designs using a periodic covariance function to provide unit cells that are both periodic on the boundaries and randomly formed inside the unit cell. Furthermore, we integrated manufacturing constraints into the design process, ensuring that the structures are interconnected for fabrication. We propose two computational optimization algorithms: GenUnit, based on a non-dominated sorting genetic algorithm (NSGA-II), and MLMatch, which leverages differentiable machine learning. The two approaches are not separate contributions but complementary com- ponents of a unified framework. GenUnit requires no training data and directly interfaces with physics-based simulations, making it highly accurate but slower for large-scale exploration. In contrast, MLMatch is data-hungry during training but, once trained, enables near-instantaneous inference and broad design-space coverage. Together, they form a hybrid strategy: ML- Match rapidly explores the global design space, and GenUnit provides local refinement with high-fidelity accuracy. This balance between training cost, inference time, and precision is the motivation for including both methods in the same study. We applied this dual-algorithm framework to generate two metallic-based metamaterial designs that match the acoustic impedance of water while exhibiting a controlled gradient in stiffness (from stiff to soft). The stiffness gradient is particularly advantageous in applications where one side of the structure must interface with soft or sensitive surfaces, such as human tissue or delicate components. Here, this work paves the way for improved materials in various acoustic applications, particularly in ultrasound devices, by providing better impedance.

Metamaterial↗

DOE OSTI2020

Evolutionary multi-objective optimization and Pareto-frontal uncertainty quantification of interatomic forcefields for thermal conductivity simulations

Predictive Molecular Dynamics simulations of thermal transport require forcefields that can simultaneously reproduce several structural, thermodynamic and vibrational properties of materials like lattice constants, phonon density of states, and specific heat. This requires a multi-objective optimization approach for forcefield parameterization. Existing methodologies for forcefield parameterization use ad-hoc and empirical weighting schemes to convert this into a single-objective optimization problem. Here, we provide and describe software to perform multi-objective optimization of Stillinger–Weber forcefields (SWFF) for two-dimensional layered materials using the recently developed 3rd generation non-dominated sorting genetic algorithm (NSGA-III). NSGA-III converges to the set of optimal forcefields lying on the Pareto front in the multi-dimensional objective space. This set of forcefields is used for uncertainty quantification of computed thermal conductivity due to variability in the forcefield parameters. We demonstrate this new optimization scheme by constructing a SWFF for a representative two-dimensional material, 2H-MoSe 2 and quantifying the uncertainty in their computed thermal conductivity.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Numerical modeling based machine learning approach for the optimization of falling - film evaporator in thermal desalination application

Scale formation that drastically increases thermal resistance and reduces freshwater production remains a critical challenge in thermal desalination. Novel designs of falling film evaporator and optimal operating condition hold great promise to mitigate scale formation, and increase heat transfer performance and fresh water production. In this work, CFD simulation based machine learning and multi-objective optimization are performed to identify optimal conditions and tube arrangement for evaporator. Non-dominated sorting genetic algorithm is adopted to determine and analyze the optimal pareto front for multiple objectives in desalination criteria. The errors of training, validation, and testing set are computed to identify an optimal hyperparameter set. For performance ratio, fouling resistance, and water production rate, the average relative error is 2.26%, 3.67%, and 3.24%. At pareto front, both performance ratio and water production rate increase at high temperature with fouling resistance (thermal resistance of the fouling layer) increasing as well. Tradeoffs between mitigating scale formation and enhancing desalination performance are evaluated in optimizations for different objectives. Finally, potential optima are identified and can be applied as guidelines to determine evaporator design and system operating conditions.

42 ENGINEERING↗

DOE OSTI2021

Towards an Agent-Based Blackboard System for Reactor Design Optimization

The field of reactor design is rich with opportunities for applications of computational optimization algorithms; these applications can range from preliminary core design to reactor shuffling patterns. Many of these schemes rely on sets of previously generated solutions (sometimes referred to as “generations”) to inform future decisions. While it is important to build upon prior knowledge, this process requires a full generation of solutions to be formed before future solutions can be examined. Rather than relying on a generational scheme to perform an optimization, we propose using an agent-based approach in conjunction with a blackboard framework for performing reactor design optimizations. Utilizing an agent-based approach allows agents to perform tasks independently, while retaining the ability to build off of previous solutions. We develop an agent-based blackboard system (ABBS) for determining the Pareto front (PF) in sodium fast reactor design optimization problems and compared this with the Non-Dominated Sorting Genetic Algorithm II (NSGA-II). Our goal is to evaluate the viability of the ABBS in producing a PF that is comparable with the NSGA-II algorithm. The design space consists of the fuel height, fuel smear, and plutonium fraction in the core, and we seek to minimize the reactivity swing and plutonium mass, while maximizing the burnup. The diversity, coverage, and spread of the PFs generated by the two methods are examined, and the ABBS is able to converge to the same PF as the NSGA-II algorithm. These results show that the ABBS is able to find optimal designs that are similar to those found by the NSGA-II algorithm. We conclude our study by applying the ABBS to the design of a sodium-cooled fast reactor to dispose of weapons-grade plutonium. The ABBS finds a core design that can burn upwards of 17.5 kg of weapons-grade plutonium per year and degrade an additional 195 kg of weapons-grade plutonium per year into non-weapons-grade material.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Design and Optimization of High-frequency Transformer for Isolated Single-Stage Three-Phase AC/DC Converter using Bidirectional Switches

This paper presents the design and optimization of the high-frequency transformer for an isolated single-stage threephase AC/DC converter enabled by the 4H-SiC BiDirectional Field Effect Transistor (BiDFET). Non-dominated Sorting Genetic Algorithm II (NSGA-II) is used to perform a multiobjective optimization to minimize loss, weight, and volume. A 20 kW, 50 kHz hardware prototype based on the selected optimal point is characterized by a power amplifier. The finite element analysis simulation results are also presented to validate the core magnetic flux density and winding electric field strength. The experimental prototype was tested at 800 Vdc/480 Vrms at 10 kW rated power.

BiDFET, High-frequency transformer, Multiobjective↗

DOE OSTI2021

Explainable Neural Architecture Search (XNAS)

Code for the paper Learning Interpretable Models Through Multi-Objective Neural Architecture Search by Zachariah Carmichael, Tim Moon, and Sam Ade Jacobs. Monumental advances in deep learning have led to unprecedented achievements across a multitude of domains. While the performance of deep neural networks is indubitable, the architectural design and interpretability of such models are nontrivial. Research has been introduced to automate the design of neural network architectures through neural architecture search (NAS). Recent progress has made these methods more pragmatic by exploiting distributed computation and novel optimization algorithms. However, there is little work in optimizing architectures for interpretability. To this end, we propose a multiobjective distributed NAS framework that optimizes for both task performance and introspection. We leverage the non-dominated sorting genetic algorithm (NSGA-II) and explainable AI (XAI) techniques to reward architectures that can be better comprehended by humans. The framework is evaluated on several image classification datasets. We demonstrate that jointly optimizing for introspection ability and task error leads to more disentangled architectures that perform within tolerable error.

Carmichael, ZachariahJ↗

DOE OSTI2023

Pressurized-Water Reactor Core Design Demonstration with Genetic Algorithm Based Multi-Objective Plant Fuel Reload Optimization Platform

LWRS M3 milestone report due September 15, 2023. This report summarizes development and demonstration activities of PRLO optimization platform built in Risk Analysis and Virtual ENviroment (RAVEN), specifically: (1) Improvement of multi-objective non-dominated sorting genetic algorithm II (NSGA-II) to handle large size of objectives and constraints, (2) Demonstration of pressurized water reactor core design with NSGA-II multi-objective optimization platform, and (3) Single-objective optimized core design including system analysis and fuel performance feedback.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Web-Based Tools for Data-Informed Remedy Optimization: Software Theory and User Guide

This report documents the development and application of two web-based decision-support tools for pump-and-treat (P&T) groundwater remediation systems: PTOLEMY (Pump-and-Treat Optimized Location Evaluation to Maximize Yields) and OPTIMA (Optimization for Pump-and-Treat Implementation, Management, & Assessment). These tools enhance remedy design and management by leveraging advanced computational methods – specifically deep learning and multi-objective optimization – within a user-friendly platform. By integrating data-driven models with established hydrogeological knowledge, PTOLEMY and OPTIMA enable more efficient evaluation of well placement and operational strategies, helping site managers balance multiple remediation objectives under complex conditions. Both tools are implemented as modules within the SOCRATES (Suite Of Comprehensive Rapid Analysis Tools for Environmental Sites) web platform, which provides data access, visualization, and analytics to support remedy optimization across sites in the U.S. Department of Energy Office of Environmental Management complex. PTOLEMY is a rapid screening module designed to identify promising locations for new extraction wells. It employs a multi-channel three-dimensional convolutional neural network (MC3D-CNN) trained on high-fidelity simulation data to predict the relative performance (in terms of contaminant mass recovery) of potential well sites. Through an interactive web interface, PTOLEMY visualizes the probability of high performance across a site, highlighting areas where an extraction well is likely to yield above-threshold contaminant removal over a multi-year period. PTOLEMY’s map-based displays and exportable results support transparent communication of screening analyses. By focusing attention on the most favorable candidate locations, the tool augments traditional engineering judgment and physics-based modeling, providing a data informed basis for subsequent detailed evaluations. OPTIMA is a multi objective optimization module designed to find wellfield layouts and operating schedules that meet various cleanup goals. It quickly evaluates thousands of candidate setups – combinations of well locations, timing, and rates – and returns a small set of best trade-off options for comparison. At its core, OPTIMA uses a U-Net-based surrogate model – a deep-learning emulator of a groundwater flow and transport simulator – to dramatically accelerate scenario evaluations. Coupling this fast surrogate with the NSGA-II (Non-dominated Sorting Genetic Algorithm II) evolutionary algorithm, OPTIMA explores a wide decision space of well locations and schedules to identify Pareto-optimal solutions that trade off key objectives (e.g., minimizing cleanup time, maximizing contaminant mass removal, and minimizing plume extent). The tool outputs a family of optimal configurations and visualizes their trade-offs (Pareto frontiers of cleanup metrics and maps of optimized well placements). Site managers can use these results to understand the range of viable strategies and to select candidate designs for more detailed verification. OPTIMA is currently under active development and not yet fully released; this guide provides early documentation to support planning and gather user feedback.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

NSGA-PINN: A Multi-Objective Optimization Method for Physics-Informed Neural Network Training

This paper presents NSGA-PINN, a multi-objective optimization framework for the effective training of physics-informed neural networks (PINNs). The proposed framework uses the non-dominated sorting genetic algorithm (NSGA-II) to enable traditional stochastic gradient optimization algorithms (e.g., ADAM) to escape local minima effectively. Additionally, the NSGA-II algorithm enables satisfying the initial and boundary conditions encoded into the loss function during physics-informed training precisely. We demonstrate the effectiveness of our framework by applying NSGA-PINN to several ordinary and partial differential equation problems. In particular, we show that the proposed framework can handle challenging inverse problems with noisy data.

Lu, Binghang (ORCID:0009000160016632)↗

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↗

NASA NTRS2015

A Stochastic Scheduler for Integrated Arrival, Departure and Surface Operations in Los Angeles

In terminal airspace, integrating arrivals, departures, and surface operations with competing resources provides the potential of improving operational efficiency by removing barriers between different operations. This work develops a centralized stochastic scheduler for operations in a terminal area including airborne and surface operations using Non-dominated sorting genetic algorithm and Monte Carlo simulations. The scheduler handles completing resources between different flows, such as runway allocations, runway crossing, departure fixes, and other interaction way points between arrivals and departures. Meanwhile, the scheduler also takes time-varied uncertainties into account when optimizing schedules. The scheduler is run sequentially to identify the best and robust schedule for the next planning window. Resulting schedules decide the routes, speed or delays, and runway assignments with separation constraints at mergingdiverging waypoints in the air and crossing and separations on runways. The Los Angels terminal area was used as an example. The implementation of this stochastic scheduler for integrated arrival, departure and surface operations is completed. And several preliminary runs are finished for over 1,200 flights in LAX in a typical day. Sensitivity studies on various planning window sizes are presented, which shows that trade-off exits between planning window size and achievable minimum delay. Preliminary results on runway usage are also presented in this abstract. Because arrivals on the outer runways have to be followed by crossings on the inner runways, algorithmic runway allocation prefers inner runways for arrivals and outer runways for departures. More results will be presented in the final paper. And current terminal arrival and departure procedures based on first-come-first-serve procedure will also be set up and used as a baseline for comparison.

integrated scheduler↗

NASA NTRS2021

Generation-based Evolutionary Tool for the Optimization of Constellations (GenETOC)

With the rapid growth in the capabilities of smaller satellites, satellite architectures that replace a single, extremely capable spacecraft with multiple, cheaper ones are gaining in popularity. Unfortunately, the orbit design process for constellations can be significantly more involved, especiallywhen the relative placement of the individual spacecraft within the constellation is not constrained by mission and/or science objectives. Optimizing a satellite constellation in the presence of multiple, competing objectives is a highly complex problem to which many traditional mathematical optimization methods cannot be applied and few tools exist to help mission designers search for promising candidate mission designs. The Generation-based Evolutionary Tool for the Optimization of Constellations (GenETOC) has been created to search for near-optimal constellation design options. GenETOC combines a modified version of the Non-dominated Sorting Genetic Algorithm II (NSGA II) with STK Components libraries (a 3rdparty .NET package created by Analytical Graphics Inc.) to create a framework that enables a mission designer to generate a simulation that models the design problem and obtain a family of potential, near-optimal solutions that can be investigated more in detail.

mission design↗