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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Simultaneous shape and topology optimization of inflatable soft robots

Simultaneous shape and topology optimization is used to design pressure-activated inflatable soft robots. The pressure loaded boundary is meshed conformingly and shape optimized, while the morphology of the robot is topology optimized. The design objective is to exert maximum force on an object, i.e. to produce soft “grippers”. The robot’s motion is modeled using nearly incompressible finite deformation hyperelasticity. To ensure stability of the robot, the buckling load factors obtained via linearized buckling analyses are constrained. The finite element method is used to evaluate the optimization cost and constraint functions and the adjoint method is employed to compute their sensitivities. The numerical examples produce pressure-driven soft robots with varying complexity. We also compare our simultaneous optimization results to those obtained via sequential topology and then shape optimization.

42 ENGINEERING↗
DOE OSTI2021

Statistical Multiobjective Optimization of Thiospinel CoNi 2 S 4 Nanocrystal Synthesis via Design of Experiments

Thiospinels, such as CoNi 2 S 4 , are showing promise for numerous applications, including as catalysts for the hydrogen evolution reaction, hydrodesulfurization, and oxygen evolution and reduction reactions; however, CoNi 2 S 4 has not been synthesized as small, colloidal nanocrystals with high surface-area-to-volume ratios. Traditional optimization methods to control nanocrystal attributes such as size typically rely upon one variable at a time (OVAT) methods that are not only time and labor intensive but also lack the ability to identify higher-order interactions between experimental variables that affect target outcomes. Herein, we demonstrate that a statistical design of experiments (DoE) approach can optimize the synthesis of CoNi 2 S 4 nanocrystals, allowing for control over the responses of nanocrystal size, size distribution, and isolated yield. After implementing a 2 5–2 fractional factorial design, the statistical screening of five different experimental variables identified temperature, Co:Ni precursor ratio, Co:thiol ratio, and their higher-order interactions as the most critical factors in influencing the aforementioned responses. Second-order design with a Doehlert matrix yielded polynomial functions used to predict the reaction parameters needed to individually optimize all three responses. A multiobjective optimization, allowing for the simultaneous optimization of size, size distribution, and isolated yield, predicted the synthetic conditions needed to achieve a minimum nanocrystal size of 6.1 nm, a minimum polydispersity (σ/$\bar{d}$) of 10%, and a maximum isolated yield of 99%, with a desirability of 96%. The resulting model was experimentally verified by performing reactions under the specified conditions. Furthermore, our work illustrates the advantage of multivariate experimental design as a powerful tool for accelerating control and optimization in nanocrystal syntheses.

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

Efficient wind farm layout optimization with the FLOWERS AEP model and analytic gradients

Wind farm layout optimization (WFLO) studies often aim to maximize the annual energy production (AEP) of a wind farm by choosing an arrangement of turbines that minimizes wake interactions. One way to reduce the cost of WFLO studies is by using more computationally efficient AEP models. The cost of standard AEP modeling approaches, based on the numerical integration of low-fidelity engineering wake models, scales poorly with the number of simulated discrete wind conditions. A second way to reduce cost when using a gradient-based algorithm is to supply exact gradient information instead of finite-difference estimates. However, analytical functions for the derivatives of AEP with respect to turbine positions are not always available in the conventional modeling approach. FLOWERS is a computationally inexpensive, analytical model for wind farm AEP that is specifically developed for WFLO applications. In this paper, we analyze the performance of the FLOWERS AEP model with analytic gradients in a layout optimization study compared with a reference optimization framework across three wind farm case studies. We find that the FLOWERS-based approach reduces computation time by a factor of 50–4000 and improves optimal AEP by about 0.3% with less than half of the variability in AEP across instances with randomized initial conditions. We also find the optimal layouts to be insensitive to model parameter tuning, making FLOWERS-based layout optimization a streamlined, user-friendly approach.

17 WIND ENERGY↗
DOE OSTI2025

Biased degenerate ground-state sampling of small Ising models with converged quantum approximate optimization algorithm

The quantum alternating operator ansatz, a generalization of the quantum approximate optimization algorithm (QAOA), is a quantum algorithm used for approximately solving combinatorial optimization problems. QAOA typically uses the transverse field mixer as the driving Hamiltonian. One of the interesting properties of the transverse field driving Hamiltonian is that it results in nonuniform sampling of degenerate ground states of optimization problems. In this study, we numerically examine the fair sampling properties of the transverse field mixer QAOA, and Grover mixer QAOA (GM-QAOA), which provides theoretical guarantees of fair sampling of degenerate optimal solutions, up to a large enough p such that the mean expectation value converges to an optimal approximation ratio of 1. This comparison is performed with high-quality heuristically computed, but not necessarily optimal, QAOA angles, which give strictly monotonically improving solution quality as p increases. These angles are computed using the Julia based numerical simulation software JuliQAOA. Fair sampling of degenerate ground states is quantified using the Shannon entropy of the ground-state amplitudes distribution. The fair sampling properties are reported on several quantum signature Hamiltonians from previous quantum annealing fair sampling studies. Small random fully connected spin glasses are shown, which exhibit exponential suppression of some degenerate ground states with transverse field mixer QAOA. The transverse field mixer QAOA simulations show that some problem instances clearly saturate the Shannon entropy of 0 with a maximally biased distribution that occurs when the learning converges to an approximation ratio of 1 while other problem instances never deviate from a maximum Shannon entropy (uniform distribution) at any p step. Published by the American Physical Society 2025

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Bucket Loading Trajectory Optimization for the Automated Wheel Loader

The bucket motion of a wheel loader during the loading process is investigated in this study. The optimal bucket loading trajectory can be obtained by solving an optimal control problem with the performance criteria of the fill factor , fuel efficiency and operation cycle time . A control-oriented model for the bucket loading operation is developed. Based on the control-oriented model, the bucket loading process is formulated as an optimal control problem with physical constraints. An open-source optimization solver, OpenOCL, is used to solve this problem. The simulation results show that the proposed method is effective in generating the optimal trajectory with significantly increased energy efficiency and productivity. Furthermore, this optimal trajectory can be employed as a reference for an automated wheel loader or as a driver advisory for a human operated wheel loader.

42 ENGINEERING↗
DOE OSTI2020

A Novel Active Optimization Approach for Rapid and Efficient Design Space Exploration Using Ensemble Machine Learning

In this work, a novel design optimization technique based on active learning, which involves dynamic exploration and exploitation of the design space of interest using an ensemble of machine learning algorithms, is presented. In this approach, a hybrid methodology incorporating an explorative weak learner (regularized basis function model) that fits high-level information about the response surface and an exploitative strong learner (based on committee machine) that fits finer details around promising regions identified by the weak learner is employed. For each design iteration, an aristocratic approach is used to select a set of nominees, where points that meet a threshold merit value as predicted by the weak learner are selected for evaluation. In addition to these points, the global optimum as predicted by the strong learner is also evaluated to enable rapid convergence to the actual global optimum once the most promising region has been identified by the optimizer. Additionally, this methodology is first tested by applying it to the optimization of a two-dimensional multi-modal surface and, subsequently, to a complex internal combustion (IC) engine combustion optimization case with nine control parameters related to fuel injection, initial thermodynamic conditions, and in-cylinder flow. It is found that the new approach significantly lowers the number of function evaluations that are needed to reach the optimum design configuration (by up to 80%) when compared to conventional optimization techniques, such as particle swarm and genetic algorithm-based optimization techniques.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Extreme-scale stochastic optimization and simulation via learning-enhanced decomposition and parallelization (Final Technical Report)

Stochastic optimization and simulation models ubiquitously arise in designing and operating complex service/engineering systems. They can be extreme in scale due to high-dimensional data and decisions, and can also involve decisions made sequentially in response to newly revealed data, both causing significant computational challenge. The objective of this research is to explore a unified framework that integrates machine learning with discrete optimization and risk-averse modeling, to improve the efficiency of decomposition paradigms for stochastic optimization and simulations at extreme scale. The models we consider represent a broad class of complex decision-making problems, where 0-1 or continuous decisions are made before and/or after knowing multiple sources of uncertainties that could be correlated. We will employ machine learning methods to dynamically decide and prioritize computational procedures, including cut generation, branching, and bounding of the optimal objective. Furthermore, the research will shed new lights on the traditional decomposition algorithms for extreme-scale computing. Deliverables of the research include new modeling and computational methods for advancing the state-of-the-art research in optimization and simulation, bringing many relevant risk-averse, data-driven optimization problems in practice within the range of tractability. Examples include distributed computing server scheduling and sensor deployment for monitoring critical infrastructures. Success in this effort will enable progress in solving multiple extreme-scale problems in the complex system design and operations arising from DoE missions in energy, environment, and national security.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Machine Learning with Gradient-Based Optimization of Nuclear Waste Vitrification with Uncertainties and Constraints

Gekko is an optimization suite in Python that solves optimization problems involving mixed-integer, nonlinear, and differential equations. The purpose of this study is to integrate common Machine Learning (ML) algorithms such as Gaussian Process Regression (GPR), support vector regression (SVR), and artificial neural network (ANN) models into Gekko to solve data based optimization problems. Uncertainty quantification (UQ) is used alongside ML for better decision making. These methods include ensemble methods, model-specific methods, conformal predictions, and the delta method. An optimization problem involving nuclear waste vitrification is presented to demonstrate the benefit of ML in this field. ML models are compared against the current partial quadratic mixture (PQM) model in an optimization problem in Gekko. GPR with conformal uncertainty was chosen as the best substitute model as it had a lower mean squared error of 0.0025 compared to 0.018 and more confidently predicted a higher waste loading of 37.5 wt% compared to 34 wt%. The example problem shows that these tools can be used in similar industry settings where easier use and better performance is needed over classical approaches. Future works with these tools include expanding them with other regression models and UQ methods, and exploration into other optimization problems or dynamic control.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Optimal Power Dispatch of DGs in Radial and Mesh AC Grids: A Hybrid Solution Methodology between the Salps Swarm Algorithm and Successive Approximation Power Flow Method

In this paper, we address the problem of the optimal power dispatch of Distributed Generators (DGs) in Alternating Current (AC) networks, better known as the Optimal Power Flow (OPF) problem. We used, as the objective function, the minimization of power losses (P loss ) associated with energy transport, which are subject to the set of constraints that compose AC networks in an environment of distributed generation. To validate the effectiveness of the proposed methodology in solving the OPF problem in any network topology, we employed one 10-node mesh test system and three radial text systems: 10, 33, and 69 nodes. In each test system, DGs were allowed to inject 20%, 40%, and 60% of the power supplied by the slack generator in the base case. To solve the OPF problem, we used a master–slave methodology that integrates the optimization method Salps Swarm Algorithm (SSA) and the load flow technique based on the Successive Approximation (SA) method. Moreover, for comparison purposes, we employed some of the algorithms reported in the specialized literature to solve the OPF problem (the continuous genetic algorithm, the particle swarm optimization algorithm, the black hole algorithm, the antlion optimization algorithm, and the Multi-Verse Optimizer algorithm), which were selected because of their excellent results in solving such problems. The results obtained by the proposed solution methodology demonstrate its superiority and convergence capacity in terms of minimization of P loss in both radial and mesh systems. It provided the best reduction in minimum P loss in short processing times and showed excellent repeatability in each test system and scenario under analysis.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2014

Integrated Arrival and Departure Schedule Optimization Under Uncertainty

In terminal airspace, integrating arrivals and departures with shared waypoints provides the potential of improving operational efficiency by allowing direct routes when possible. Incorporating stochastic evaluation as a post-analysis process of deterministic optimization, and imposing a safety buffer in deterministic optimization, are two ways to learn and alleviate the impact of uncertainty and to avoid unexpected outcomes. This work presents a third and direct way to take uncertainty into consideration during the optimization. The impact of uncertainty was incorporated into cost evaluations when searching for the optimal solutions. The controller intervention count was computed using a heuristic model and served as another stochastic cost besides total delay. Costs under uncertainty were evaluated using Monte Carlo simulations. The Pareto fronts that contain a set of solutions were identified and the trade-off between delays and controller intervention count was shown. Solutions that shared similar delays but had different intervention counts were investigated. The results showed that optimization under uncertainty could identify compromise solutions on Pareto fonts, which is better than deterministic optimization with extra safety buffers. It helps decision-makers reduce controller intervention while achieving low delays.

stochastic optimization↗
NASA NTRSDate not supplied

Voxel Based Three-Dimensional Topology Optimization of Heat Exchanger Fins

Increasing interest in novel aircraft propulsion systems and potential for unwanted heat generation, or capture and reuse of waste heat, may require increasingly lightweight and high performing heat exchangers. Advances in manufacturing technologies have shown potential to create complex designs, but design tools need more flexibility. This study utilizes genetic algorithm-driven topology optimization to develop high performance heat exchanger fins for critical applications such as aerospace. The solid domain is generated using voxel representation where a voxel value of 1 indicates the solid domain and a voxel value of 0 refers to the fluid domain. The use of voxel representation somewhat matches the digitization of a model that is required to fabricate using additive manufacturing, and also allows for a highly unconstrained geometry. To test the topology optimization approach, a three-dimensional(3D)baseline offset strip fin geometry in steady laminar flow(Reynolds number = 215)with conjugate heat transfer(simultaneous solution of solid and fluid temperature fields)is optimized. New designs are generated using the genetic algorithm (GA) and sent to evaluation by the CFD software OpenFOAM; then the GA sorts and selects the reproduction pool for the following generation. This process is repeated for 60 generations. The study also investigates the effect off in material on the performance of the GA and the resulting designs. The results show that the optimal designs have overall performance improvement of 18% relative to the baseline. Additionally, a fin constructed of a lower conductivity material (such as an Inconel super alloy that might be necessary for waste heat recovery applications)results in lower overall performance improvement (11%)and optimal designs with higher pressure drop relative to their baseline, and relative to optimal designs produced using higher conductivity materials.

3D Optimization↗
DOE OSTI2025

A simple introduction to the SiMPL method for density-based topology optimization

We introduce a novel method for solving density-based topology optimization problems: Sigmoidal Mirror descent with a Projected Latent variable (SiMPL). The SiMPL method (pronounced as “the simple method”) optimizes a design using only first-order derivative information of the objective function. The bound constraints on the density field are enforced with the help of the (negative) Fermi–Dirac entropy, which is also used to define a non-symmetric distance function called a Bregman divergence on the set of admissible designs. This Bregman divergence leads to a simple update rule that is further simplified with the help of a so-called latent variable. Because the SiMPL method involves discretizing the latent variable, it produces a sequence of pointwise-feasible iterates, even when high-order finite elements are used in the discretization. Numerical experiments demonstrate that the method outperforms other popular first-order optimization algorithms. In conclusion, to outline the general applicability of the technique, we include examples with (self-load) compliance minimization and compliant mechanism optimization problems.

Calculus of Variations and Optimization↗
DOE OSTI2026

Sparsity Applications for Gradient‐Based Optimization of Wind Farms

Optimizing wind farms is essential for designing efficient energy systems, especially as farms grow larger and span multiple sites. However, this optimization becomes increasingly challenging due to the rising computational cost associated with more turbines. Gradient‐based optimization methods scale better than gradient‐free approaches for large problems, but the most computationally expensive component remains the calculation of gradients for the objective function and constraint Jacobians. To address this, we propose leveraging sparsity to accelerate gradient evaluations and reduce the size of the constraint Jacobian. Wind farms naturally exhibit sparsity—many turbines do not influence each other under certain wind directions. However, unlike traditional sparse problems with fixed patterns, wind farm sparsity is dynamic, requiring new strategies to handle changing interactions efficiently. This paper presents a study of sparsity in wind farm optimization and introduces several methods to exploit it. These strategies are tested on multiple farms using the analytic Cumulative Curl model, with gradients computed via automatic differentiation (AD). The same sparsity‐aware techniques are also applicable to finite difference (FD) methods, where they can yield even greater speedups due to the high cost of directional evaluations. Results show that sparse methods achieve up to a 10x speedup with less than ± 5% variance in optimized wake losses compared to traditional methods. These findings suggest that sparsity‐aware optimization not only maintains solution quality but also scales efficiently with farm size, enabling more comprehensive design exploration at reduced computational cost.

17 WIND ENERGY↗
DOE OSTI2019

A dual mesh method with adaptivity for stress-constrained topology optimization

This paper is concerned with the topological optimization of elastic structures, with the goal of minimizing the compliance and/or mass of the structure, subject to a stress constraint. It is well known that depending upon the geometry and the loading conditions, the stress field can exhibit singularities, if these singularities are not adequately resolved, the topological optimization process will be ineffective. For computational efficiency, adaptive mesh refinement is required to adequately resolve the stress field. This poses a challenge for the traditional Solid Isotropic Material with Penalization (SIMP) method that employs a one-to-one correspondence between the finite element mesh and the optimization design variables because as the mesh is refined, the optimization process must somehow be re-started with a new set of design variables. The proposed solution here is a dual mesh approach, one finite element mesh defines the material distribution, a second finite element mesh is used for the computation of the displacement and stress fields. This allows for stress-based adaptive mesh refinement without modifying the definition of the optimization design variables. A second benefit of this dual mesh approach is that there is no need to apply a filter to the design variables to enforce a length scale, instead the length scale is determined by the design mesh. This reduces the number of design variables and allows the designer to apply spatially varying length scale if desired. The efficacy of this dual mesh approach is established via several stress-constrained topology optimization problems.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Yet another parameter-free shape optimization method

The use of node coordinates as design variables in shape optimization offers a larger design space than computer-aided design (CAD)-based shape parameterizations. It also allows for the optimization of legacy designs, i.e., a finite element mesh from an existing design can be readily optimized to meet new performance requirements without involving a CAD model. However, it is well known that the node coordinate parameterization method is fraught with numerical difficulties, which makes it impractical to use. This has led to several of “parameter-free” shape optimization methods that seek the advantages and avoid the pitfalls of the naïve node coordinate parameterization method. These methods come in two main varieties: sensitivity filtering (or gradient smoothing) and consistent filtering. The latter is analogous to the density filter method used in topology optimization (TO). In this work, we use the PDE filter from TO and energy-based filters to implement consistent shape optimization filtering schemes easily and efficiently. Numerical experiments demonstrate that consistent methods are more robust than sensitivity filtering methods.

42 ENGINEERING↗
DOE OSTI2023

Language model-accelerated deep symbolic optimization

Symbolic optimization methods have been used to solve varied challenging and relevant problems such as symbolic regression and neural architecture search. However, the current state of the art typically learns each problem from scratch and is unable to leverage pre-existing knowledge and datasets that are available for many applications. Here, inspired by the similarity between sequence representations learned in natural language processing and the formulation of symbolic optimization as a discrete sequence optimization problem, we propose language model-accelerated deep symbolic optimization (LA-DSO), a method that leverages language models to learn symbolic optimization solutions more efficiently. We demonstrate LA-DSO in two tasks: symbolic regression, which allows us to perform extensive experimentation due to its low computation requirements, and computational antibody optimization, which shows that our proposal accelerates learning in challenging real-world problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Multidimensional sum-up rounding for integer programming in optimal experimental design

Here we present a numerical method for approximating the solution of convex integer programs stemming from optimal experimental design. The statistical setup consists of a Bayesian framework for linear inverse problems for which the direct relationship is described by a discretized integral equation. Specifically, we aim to find the optimal sensor placement from a set of candidate locations where data are collected with measurement error. The convex objective function is a measure of the uncertainty, described here by the trace or log-determinant of the posterior covariance matrix, for the discretized linear inverse problem solution. The resulting convex integer program is relaxed, producing a lower bound. An upper bound is obtained by extending the sum-up rounding approach to multiple dimensions. For this extension, we analyze its accuracy as a function of the discretization mesh size for a rectangular domain. We show asymptotic optimality of the integer solution defining the upper bound for different experimental design criteria (A- and D-optimal), by proving the convergence to zero of the gap between the upper and lower bounds as the mesh size goes to zero. The technique is illustrated on a two-dimensional gravity surveying problem for both A-optimal and D-optimal sensor placement where our designs yield better results compared with a thresholding rounding approach.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Empirical performance bounds for quantum approximate optimization

The quantum approximate optimization algorithm (QAOA) has been put forth as a method for near-term quantum computers to solve optimization problems. However, assessments of QAOA performance have mostly focused on small structured problem instances while performance on more general instances is less clear. Here, we numerically simulate QAOA pure state dynamics for every instance of MaxCut on non-isomorphic unweighted graphs with nine or fewer vertices with depth parameters p ≤ 3. We find the approximation ratios and optimized circuit parameters concentrate across graphs of a given size and empirically show increases in concentration as graph size increases. The parameter concentration leads to two median-angle heuristics that overcome difficulties in QAOA parameter optimization and obtain mean approximation ratios within 3% and 0.2% of the optimal. We also analyze the probability to measure an optimal solution and find increasing variations between graphs as depth increases, in stark contrast to the approximation ratios which concentrate as depth increases. Furthermore, the resulting benchmark data set gives empirical bounds for on-going experimental realizations and lays groundwork for theoretical extensions to greater problem sizes and depths where QAOA may prove important for practically relevant problems.

79 ASTRONOMY AND ASTROPHYSICS↗