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All sources NASA NTRS DOE OSTI

DOE OSTI2022

Learning Optimal Aerodynamic Designs

This project created a framework for efficient, accurate, and scalable deep neural network representations of design optimization problem solutions. The inputs to these DNN representations are the vector of design requirement parameters, the outputs are the optimal design variables, and the goal is to learn the map from inputs to outputs (i.e., inverse design). The team addressed the problem of the optimal shape design of aerodynamic lifting surfaces—in particular aircraft wings—using a Reynolds-Average Navier Stokes model to govern the CFD-based aerodynamic shape optimization. The inverse design map for such problems is very complex and high-dimensional, involving inputs and outputs on the order of 1000s. To approximate this inverse design map, the team developed algorithms to construct parsimonious DNN architectures, which automatically identify low-dimensional manifolds in which design requirements affect optimal shape parameters, and trained these architectures with multifidelity optimization methods. The resulting methodology accurately and automatically designs optimal aerodynamic lifting surfaces with very high accuracy (99%) at interactive speeds, of the order of milliseconds, resulting in factors of one million or more speedup relative to CFD-based design optimization.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Multi-physics Topology OPtimization and Additive Manufacturing for High-temperature Heat Exchangers

This research significantly advances the understanding of high-temperature heat exchanger design through an integrated approach that combines topology optimization (TO), triply periodic minimal surface (TPMS) structures, additive manufacturing (AM) and thermohydraulic testing. Each of these components contributes uniquely to a unified, high-performance design, fabrication and testing workflow. Topology optimization serves as the foundation of the design methodology by providing a systematic way to determine the most effective material layout for separating hot and cold fluids while maximizing thermal performance. The researchers introduced a novel three-material optimization framework using two density fields to represent hot fluid, cold fluid, and solid domains. This approach enables automated discovery of optimal shapes and flow paths that cannot be intuitively designed, especially under constraints imposed by manufacturing technologies. Furthermore, constraints such as minimal wall thickness and overhang angles were embedded into the optimization process, ensuring that resulting designs are not only thermally efficient but also manufacturable using modern additive techniques. In parallel, the study delves into the use of Gyroid-based TPMS geometries for constructing the core of the heat exchanger. TPMS structures are known for their high surface area, excellent fluid mixing capabilities, and minimal pressure drop characteristics. The researchers applied a data-driven modeling framework using Heteroscedastic Sparse Gaussian Process Regression (HSGPR) combined with genetic algorithms. This allowed for the rapid evaluation and optimization of key geometric parameters such as frequency, iso-value, and phase shift. The result was a set of Gyroid structures tailored for high heat transfer and low flow resistance, demonstrating clear improvements over conventional straight-channel designs. After the designing process, additive manufacturing played a critical role by turning these highly complex, optimized geometries into physical components. Utilizing Laser Powder Bed Fusion (LPBF) with Haynes 282, the study demonstrated the feasibility of fabricating these heat exchangers at high precision. Post-processing methods, including dilation-erosion operations, were applied to ensure local features adhered to self-supporting constraints. The fabricated structures were then subjected to thermohydraulic testing under conditions representative of supercritical CO 2 Brayton cycles, validating the predicted performance and confirming the viability of the full design-to-fabrication pipeline. Finally, thermohydraulic testing across the above studies served as a crucial experimental validation of advanced heat exchanger. Under consistent high-temperature and high-pressure conditions using supercritical CO 2 , the testing demonstrated that both TO and Gyroid-based TPMS designs significantly outperformed conventional straight-channel HXs. The TO design achieved a 115% increase in UA and NTU and a 27.6% boost in gravimetric power density, while the data-driven optimized Gyroid design delivered a 166% increase in UA and NTU and improved effectiveness from 68.7% to 86.1%. These results validate the simulation models, confirm the manufacturability of complex geometries under AM constraints, and provide key insights into design-performance trade-offs, thereby advancing the development of high-efficiency, compact heat exchangers for extreme environments.

36 MATERIALS SCIENCE↗

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 OSTI2021

Effect of barren plateaus on gradient-free optimization

Barren plateau landscapes correspond to gradients that vanish exponentially in the number of qubits. Such landscapes have been demonstrated for variational quantum algorithms and quantum neural networks with either deep circuits or global cost functions. For obvious reasons, it is expected that gradient-based optimizers will be significantly affected by barren plateaus. However, whether or not gradient-free optimizers are impacted is a topic of debate, with some arguing that gradient-free approaches are unaffected by barren plateaus. Here we show that, indeed, gradient-free optimizers do not solve the barren plateau problem. Our main result proves that cost function differences, which are the basis for making decisions in a gradient-free optimization, are exponentially suppressed in a barren plateau. Hence, without exponential precision, gradient-free optimizers will not make progress in the optimization. We numerically confirm this by training in a barren plateau with several gradient-free optimizers (Nelder-Mead, Powell, and COBYLA algorithms), and show that the numbers of shots required in the optimization grows exponentially with the number of qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Optimal Power Management of Battery Energy Storage Systems via Ensemble Kalman Inversion

Optimal power management of battery energy storage systems (BESS) is crucial for their safe and efficient operation. Numerical optimization techniques are frequently utilized to solve the optimal power management problems. However, these techniques often fall short of delivering real-time solutions for large-scale BESS due to their computational complexity. To address this issue, this paper proposes a computationally efficient approach. We introduce a new set of decision variables called power-sharing ratios corresponding to each cell, indicating their allocated power share from the output power demand. We then formulate an optimal power management problem to minimize the system-wide power losses while ensuring compliance with safety, balancing, and power supply-demand match constraints. To efficiently solve this problem, a parametrized control policy is designed and leveraged to transform the optimal power management problem into a parameter estimation problem. We then implement the ensemble Kalman inversion to estimate the optimal parameter set. The proposed approach significantly reduces computational requirements due to 1) the much lower dimensionality of the decision parameters and 2) the estimation treatment of the optimal power management problem. Finally, we conduct extensive simulations to validate the effectiveness of the proposed approach. The results show promise in accuracy and computation time compared with explored numerical optimization techniques.

Farakhor, Amir↗

DOE OSTI2022

A Multi-Objective Approach for Optimizing Edge-Based Resource Allocation Using TOPSIS

Existing approaches for allocating resources on edge environments are inefficient and lack the support of heterogeneous edge devices, which in turn fail to optimize the dependency on cloud infrastructures or datacenters. To this extent, we propose in this paper OpERA, a multi-layered edge-based resource allocation optimization framework that supports heterogeneous and seamless execution of offloadable tasks across edge, fog, and cloud computing layers and architectures. By capturing offloadable task requirements, OpERA is capable of identifying suitable resources within nearby edge or fog layers, thus optimizing the execution process. Throughout the paper, we present results which show the effectiveness of our proposed optimization strategy in terms of reducing costs, minimizing energy consumption, and promoting other residual gains in terms of processing computations, network bandwidth, and task execution time. We also demonstrate that by optimizing resource allocation in computation offloading, it is then possible to increase the likelihood of successful task offloading, particularly for computationally intensive tasks that are becoming integral as part of many IoT applications such robotic surgery, autonomous driving, smart city monitoring device grids, and deep learning tasks. The evaluation of our OpERA optimization algorithm reveals that the TOPSIS MCDM technique effectively identifies optimal compute resources for processing offloadable tasks, with a 96% success rate. Moreover, the results from our experiments with a diverse range of use cases show that our OpERA optimization strategy can effectively reduce energy consumption by up to 88%, and operational costs by 76%, by identifying relevant compute resources.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1977

An optimality criterion for sizing members of heated structures with temperature constraints

A thermal optimality criterion is presented for sizing members of heated structures with multiple temperature constraints. The optimality criterion is similar to an existing optimality criterion for design of mechanically loaded structures with displacement constraints. Effectiveness of the thermal optimality criterion is assessed by applying it to one- and two-dimensional thermal problems where temperatures can be controlled by varying the material distribution in the structure. Results obtained from the optimality criterion agree within 2 percent with results from a closed-form solution and with results from a mathematical programming technique. The thermal optimality criterion augments existing optimality criteria for strength and stiffness related constraints and offers the possibility of extension of optimality techniques to sizing structures with combined thermal and mechanical loading.

Rao, G. V.↗

NASA NTRS1983

Optimization methods applied to hybrid vehicle design

The use of optimization methods as an effective design tool in the design of hybrid vehicle propulsion systems is demonstrated. Optimization techniques were used to select values for three design parameters (battery weight, heat engine power rating and power split between the two on-board energy sources) such that various measures of vehicle performance (acquisition cost, life cycle cost and petroleum consumption) were optimized. The apporach produced designs which were often significant improvements over hybrid designs already reported on in the literature. The principal conclusions are as follows. First, it was found that the strategy used to split the required power between the two on-board energy sources can have a significant effect on life cycle cost and petroleum consumption. Second, the optimization program should be constructed so that performance measures and design variables can be easily changed. Third, the vehicle simulation program has a significant effect on the computer run time of the overall optimization program; run time can be significantly reduced by proper design of the types of trips the vehicle takes in a one year period. Fourth, care must be taken in designing the cost and constraint expressions which are used in the optimization so that they are relatively smooth functions of the design variables. Fifth, proper handling of constraints on battery weight and heat engine rating, variables which must be large enough to meet power demands, is particularly important for the success of an optimization study. Finally, the principal conclusion is that optimization methods provide a practical tool for carrying out the design of a hybrid vehicle propulsion system.

Donoghue, J. F.↗

NASA NTRS1985

A sequential linear optimization approach for controller design

A linear optimization approach with a simple real arithmetic algorithm is presented for reliable controller design and vibration suppression of flexible structures. Using first order sensitivity of the system eigenvalues with respect to the design parameters in conjunction with a continuation procedure, the method converts a nonlinear optimization problem into a maximization problem with linear inequality constraints. The method of linear programming is then applied to solve the converted linear optimization problem. The general efficiency of the linear programming approach allows the method to handle structural optimization problems with a large number of inequality constraints on the design vector. The method is demonstrated using a truss beam finite element model for the optimal sizing and placement of active/passive-structural members for damping augmentation. Results using both the sequential linear optimization approach and nonlinear optimization are presented and compared. The insensitivity to initial conditions of the linear optimization approach is also demonstrated.

Horta, L. G.↗

NASA NTRS1984

Optimization in the systems engineering process

The objective is to look at optimization as it applies to the design process at a large aircraft company. The design process at Lockheed-Georgia is described. Some examples of the impact that optimization has had on that process are given, and then some areas that must be considered if optimization is to be successful and supportive in the total design process are indicated. Optimization must continue to be sold and this selling is best done by consistent good performance. For this good performance to occur, the future approaches must be clearly thought out so that the optimization methods solve the problems that actually occur during design. The visibility of the design process must be maintained as further developments are proposed. Careful attention must be given to the management of data in the optimization process, both for technical reasons and for administrative purposes. Finally, to satisfy program needs, provisions must be included to supply data to support program decisions, and to communicate with design processes outside of the optimization process. If designers fail to adequately consider all of these needs, the future acceptance of optimization will be impeded.

Lemmerman, L. A.↗

NASA NTRS1988

Structural optimization of rotor blades with integrated dynamics and aerodynamics

The problem of structural optimization of helicopter rotor blades with integrated dynamic and aerodynamic design considerations is addressed. Results of recent optimization work on rotor blades for minimum weight with constraints on multiple coupled natural flap-lag frequencies, blade autorotational inertia and centrifugal stress has been reviewed. A strategy has been defined for the ongoing activities in the integrated dynamic/aerodynamic optimization of rotor blades. As a first step, the integrated dynamic/airload optimization problem has been formulated. To calculate system sensitivity derivatives necessary for the optimization recently developed, Global Sensitivity Equations (GSE) are being investigated. A need for multiple objective functions for the integrated optimization problem has been demonstrated and various techniques for solving the multiple objective function optimization are being investigated. The method called the Global Criteria Approach has been applied to a test problem with the blade in vacuum and the blade weight and the centrifugal stress as the multiple objectives. The results indicate that the method is quite effective in solving optimization problems with conflicting objective functions.

Chattopadhyay, Aditi↗

NASA NTRS1989

Integrated aerodynamic/dynamic optimization of helicopter rotor blades

An integrated aerodynamic/dynamic optimization procedure is used to minimize blade weight and 4 per rev vertical hub shear for a rotor blade in forward flight. The coupling of aerodynamics and dynamics is accomplished through the inclusion of airloads which vary with the design variables during the optimization process. Both single and multiple objective functions are used in the optimization formulation. The Global Criteria Approach is used to formulate the multiple objective optimization and results are compared with those obtained by using single objective function formulations. Constraints are imposed on natural frequencies, autorotational inertia, and centrifugal stress. The program CAMRAD is used for the blade aerodynamic and dynamic analyses, and the program CONMIN is used for the optimization. Since the spanwise and the azimuthal variations of loading are responsible for most rotor vibration and noise, the vertical airload distributions on the blade, before and after optimization, are compared. The total power required by the rotor to produce the same amount of thrust for a given area is also calculated before and after optimization. Results indicate that integrated optimization can significantly reduce the blade weight, the hub shear and the amplitude of the vertical airload distributions on the blade and the total power required by the rotor.

Chattopadhyay, Aditi↗

NASA NTRS1989

Structural optimization of rotor blades with integrated dynamics and aerodynamics

Chattopadhyay, Aditi↗

NASA NTRS1989

The Sizing and Optimization Language (SOL): A computer language to improve the user/optimizer interface

The nonlinear mathematical programming method (formal optimization) has had many applications in engineering design. A figure illustrates the use of optimization techniques in the design process. The design process begins with the design problem, such as the classic example of the two-bar truss designed for minimum weight as seen in the leftmost part of the figure. If formal optimization is to be applied, the design problem must be recast in the form of an optimization problem consisting of an objective function, design variables, and constraint function relations. The middle part of the figure shows the two-bar truss design posed as an optimization problem. The total truss weight is the objective function, the tube diameter and truss height are design variables, with stress and Euler buckling considered as constraint function relations. Lastly, the designer develops or obtains analysis software containing a mathematical model of the object being optimized, and then interfaces the analysis routine with existing optimization software such as CONMIN, ADS, or NPSOL. This final state of software development can be both tedious and error-prone. The Sizing and Optimization Language (SOL), a special-purpose computer language whose goal is to make the software implementation phase of optimum design easier and less error-prone, is presented.

Lucas, S. H.↗

NASA NTRS1989

Recent experience in simultaneous control-structure optimization

To show the feasibility of simultaneous optimization as design procedure, low order problems were used in conjunction with simple control formulations. The numerical results indicate that simultaneous optimization is not only feasible, but also advantageous. Such advantages come at the expense of introducing complexities beyond those encountered in structure optimization alone, or control optimization alone. Examples include: larger design parameter space, optimization may combine continuous and combinatoric variables, and the combined objective function may be nonconvex. Future extensions to include large order problems, more complex objective functions and constraints, and more sophisticated control formulations will require further research to ensure that the additional complexities do not outweigh the advantages of simultaneous optimization. Some areas requiring more efficient tools than currently available include: multiobjective criteria and nonconvex optimization. Efficient techniques to deal with optimization over combinatoric and continuous variables, and with truncation issues for structure and control parameters of both the model space as well as the design space need to be developed.

Salama, M.↗

NASA NTRS1991

Design optimization of space structures

The topology-shape-size optimization of space structures is investigated through Kikuchi's homogenization method. The method starts from a 'design domain block,' which is a region of space into which the structure is to materialize. This domain is initially filled with a finite element mesh, typically regular. Force and displacement boundary conditions corresponding to applied loads and supports are applied at specific points in the domain. An optimal structure is to be 'carved out' of the design under two conditions: (1) a cost function is to be minimized, and (2) equality or inequality constraints are to be satisfied. The 'carving' process is accomplished by letting microstructure holes develop and grow in elements during the optimization process. These holes have a rectangular shape in two dimensions and a cubical shape in three dimensions, and may also rotate with respect to the reference axes. The properties of the perforated element are obtained through an homogenization procedure. Once a hole reaches the volume of the element, that element effectively disappears. The project has two phases. In the first phase the method was implemented as the combination of two computer programs: a finite element module, and an optimization driver. In the second part, focus is on the application of this technique to planetary structures. The finite element part of the method was programmed for the two-dimensional case using four-node quadrilateral elements to cover the design domain. An element homogenization technique different from that of Kikuchi and coworkers was implemented. The optimization driver is based on an augmented Lagrangian optimizer, with the volume constraint treated as a Courant penalty function. The optimizer has to be especially tuned to this type of optimization because the number of design variables can reach into the thousands. The driver is presently under development.

Felippa, Carlos↗

NASA NTRS1990

New evidence favoring multilevel decomposition and optimization

The issue of the utility of multilevel decomposition and optimization remains controversial. To date, only the structural optimization community has actively developed and promoted multilevel optimization techniques. However, even this community acknowledges that multilevel optimization is ideally suited for a rather limited set of problems. It is warned that decomposition typically requires eliminating local variables by using global variables and that this in turn causes ill-conditioning of the multilevel optimization by adding equality constraints. The purpose is to suggest a new multilevel optimization technique. This technique uses behavior variables, in addition to design variables and constraints, to decompose the problem. The new technique removes the need for equality constraints, simplifies the decomposition of the design problem, simplifies the programming task, and improves the convergence speed of multilevel optimization compared to conventional optimization.

Padula, Sharon L.↗

NASA NTRS1990

Direct handling of equality constraints in multilevel optimization

In recent years there have been several hierarchic multilevel optimization algorithms proposed and implemented in design studies. Equality constraints are often imposed between levels in these multilevel optimizations to maintain system and subsystem variable continuity. Equality constraints of this nature will be referred to as coupling equality constraints. In many implementation studies these coupling equality constraints have been handled indirectly. This indirect handling has been accomplished using the coupling equality constraints' explicit functional relations to eliminate design variables (generally at the subsystem level), with the resulting optimization taking place in a reduced design space. In one multilevel optimization study where the coupling equality constraints were handled directly, the researchers encountered numerical difficulties which prevented their multilevel optimization from reaching the same minimum found in conventional single level solutions. The researchers did not explain the exact nature of the numerical difficulties other than to associate them with the direct handling of the coupling equality constraints. The coupling equality constraints are handled directly, by employing the Generalized Reduced Gradient (GRG) method as the optimizer within a multilevel linear decomposition scheme based on the Sobieski hierarchic algorithm. Two engineering design examples are solved using this approach. The results show that the direct handling of coupling equality constraints in a multilevel optimization does not introduce any problems when the GRG method is employed as the internal optimizer. The optimums achieved are comparable to those achieved in single level solutions and in multilevel studies where the equality constraints have been handled indirectly.

Renaud, John E.↗