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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Regulation of Dynamical Systems to Optimal Solutions of Semidefinite Programs: Algorithms and Applications to AC Optimal Power Flow

This paper considers a collection of networked nonlinear dynamical systems, and addresses the synthesis of feedback controllers that seek optimal operating points corresponding to the solution of pertinent network-wide optimization problems. Particular emphasis is placed on the solution of semidefinite programs (SDPs). The design of the feedback controller is grounded on a dual e-subgradient approach, with the dual iterates utilized to dynamically update the dynamical-system reference signals. Global convergence is guaranteed for diminishing stepsize rules, even when the reference inputs are updated at a faster rate than the dynamical-system settling time. The application of the proposed framework to the control of power-electronic inverters in AC distribution systems is discussed. The objective is to bridge the time-scale separation between real-time inverter control and network-wide optimization. Optimization objectives assume the form of SDP relaxations of prototypical AC optimal power flow problems.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2017

Optimization principles and the figure of merit for triboelectric generators

Energy harvesting with triboelectric nanogenerators is a burgeoning field, with a growing portfolio of creative application schemes attracting much interest. Although power generation capabilities and its optimization are one of the most important subjects, a satisfactory elemental model that illustrates the basic principles and sets the optimization guideline remains elusive. We use a simple model to clarify how the energy generation mechanism is electrostatic induction but with a time-varying character that makes the optimal matching for power generation more restrictive. By combining multiple parameters into dimensionless variables, we pinpoint the optimum condition with only two independent parameters, leading to predictions of the maximum limit of power density, which allows us to derive the triboelectric material and device figure of merit. We reveal the importance of optimizing device capacitance, not only load resistance, and minimizing the impact of parasitic capacitance. Optimized capacitances can lead to an overall increase in power density of more than 10 times.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Analysis and Optimization of Seismo-Acoustic Monitoring Networks with Bayesian Optimal Experimental Design

The Bayesian optimal experimental design (OED) problem seeks to identify data, sensor configurations, or experiments which can optimally reduce uncertainty. The goal of OED is to find an experiment that maximizes the expected information gain (EIG) about quantities of interest given prior knowledge about expected data. Therefore, within the context of seismic monitoring, we can use Bayesian OED to configure sensor networks by choosing sensor locations, types, and fidelity in order to improve our ability to identify and locate seismic sources. In this work, we develop the framework necessary to use Bayesian OED to optimize the ability to locate seismic events from arrival time data of detected seismic phases. In order to do utilize Bayesian OED we must develop four elements:1. A likelihood function that describes the uncertainty of detection and travel times; 2. A Bayesian solver that takes a prior and likelihood to identify the posterior; 3. An algorithm to compute EIG; and, 4. An optimizer that finds a sensor network which maximizes EIG. Once we have developed this framework, we can explore many relevant questions to monitoring such as: how and what multiphenomenology data can be used to optimally reduce uncertainty, how to trade off sensor fidelity and earth model uncertainty, and how sensor types, number, and locations influence uncertainty

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Component-wise reduced-order model design optimization such as for lattice design optimization

Systems and methods for optimizing a lattice structure design are disclosed herein. In some embodiments, a method for optimizing a lattice structure design can include (i) modeling the lattice structure with a component-wise reduced-order model (CWROM) and (ii) optimizing the CWROM based on a selected criterion using a topology optimization algorithm for lattice design. The selected criterion can include a boundary condition and a load applied to the lattice structure. By modeling the lattice structure as a CWROM, the optimization process can be very fast while still permitting the accurate computation of physical quantities of the lattice structure.

Choi, Youngsoo↗
DOE OSTI2023

Recent Developments in Security-Constrained AC Optimal Power Flow: Overview of Challenge 1 in the ARPA-E Grid Optimization Competition

In “Recent Developments in Security-Constrained AC Optimal Power Flow: Overview of Challenge 1 in the ARPA-E Grid Optimization Competition,” we review the state of the art in practical algorithms for scheduling power-systems operations in the short term and the results of the recent competition organized by the U.S. Advanced Research Projects Agency–Energy. We explain the mixed-integer nonlinear formulation used in the competition for nonspecialists in electrical engineering, the context and organization of the competition, and the performance of competitors. We find that the collective approaches and results of competitors provide support for efforts to move nonlinear optimization techniques into industrial applications, as they have proven to be a robust and efficient alternative to current linear approximation techniques.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Toward a scalable robust security-constrained optimal power flow using a proximal projection bundle method

Robust security-constrained optimal power flow (rSCOPF) aims to find the worst-case contingencies of alternating current optimal power flow (ACOPF) in power systems. With the rise of GPU architectures on the upcoming supercomputer architectures, optimization algorithms that rely on sparse linear algebra and indefinite linear systems are becoming increasingly hard to solve efficiently (e.g. interior-point method). To address this we revisit a maximin optimization formulation of the rSCOPF and the single-level mixed-integer semidefinite programming (MISDP) reformulation, which is obtained by taking the Lagrangian relaxation of the inner minimization ACOPF problem. In this paper, we focus on the development of a proximal projection bundle method (PPBM) for solving continuous relaxation node subproblems of the MISDP problem, based primarily on the well-known alternating direction method of multipliers. Cutting planes reminiscent of bundle method ideas are also applied in coordination with updates of the proximal parameter. The cutting-plane method can generate a large number of linear inequalities, leading to a large scale but decomposable quadratic programming (QP) subproblem that is amenable to GPUs. We present the numerical results on the IEEE 30, 57, 118, and 300-bus systems by using our PBMM method. We discuss the main computational bottleneck of our method, which is the time taken to solve each iteration of a QP subproblem instance of the PPBM, and how GPU architectures can accelerate this solution process.

bundle method↗
DOE OSTI2016

Distribution-Agnostic Stochastic Optimal Power Flow for Distribution Grids

This paper outlines a data-driven, distributionally robust approach to solve chance-constrained AC optimal power flow problems in distribution networks. Uncertain forecasts for loads and power generated by photovoltaic (PV) systems are considered, with the goal of minimizing PV curtailment while meeting power flow and voltage regulation constraints. A data- driven approach is utilized to develop a distributionally robust conservative convex approximation of the chance-constraints; particularly, the mean and covariance matrix of the forecast errors are updated online, and leveraged to enforce voltage regulation with predetermined probability via Chebyshev-based bounds. By combining an accurate linear approximation of the AC power flow equations with the distributionally robust chance constraint reformulation, the resulting optimization problem becomes convex and computationally tractable.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Optimization with Neural Network Feasibility Surrogates: Formulations and Application to Security-Constrained Optimal Power Flow

In many areas of constrained optimization, representing all possible constraints that give rise to an accurate feasible region can be difficult and computationally prohibitive for online use. Satisfying feasibility constraints becomes more challenging in high-dimensional, non-convex regimes which are common in engineering applications. A prominent example that is explored in the manuscript is the security-constrained optimal power flow (SCOPF) problem, which minimizes power generation costs, while enforcing system feasibility under contingency failures in the transmission network. In its full form, this problem has been modeled as a nonlinear two-stage stochastic programming problem. In this work, we propose a hybrid structure that incorporates and takes advantage of both a high-fidelity physical model and fast machine learning surrogates. Neural network (NN) models have been shown to classify highly non-linear functions and can be trained offline but require large training sets. In this work, we present how model-guided sampling can efficiently create datasets that are highly informative to a NN classifier for non-convex functions. We show how the resultant NN surrogates can be integrated into a non-linear program as smooth, continuous functions to simultaneously optimize the objective function and enforce feasibility using existing non-linear solvers. Overall, this allows us to optimize instances of the SCOPF problem with an order of magnitude CPU improvement over existing methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

Dendrite-Free and Performance-Enhanced Lithium Metal Batteries through Optimizing Solvent Compositions and Adding Combinational Additives

The instability of lithium (Li) metal anode due to the dendritic growth and low Coulombic efficiency hinders the practical application of the well-regarded high-energy-density Li metal batteries. Here we report the systematic studies of improving the stability of Li metal anode and the electrochemical performances of the related Li metal batteries through the addition of combinational additives and the optimization of solvent compositions in dual-salt/carbonate electrolytes. A dendrite-free and high Coulombic efficiency of 98.1% for Li metal anode is achieved. The well protection of the Li metal anode and the excellent cyclability and rate capability of the 4-V Li metal batteries have been obtained. This is attributed to the formation of a robust, denser, more polymeric and higher ionic conductive surface film on the Li metal anode via the electrochemical reductive decompositions of the electrolyte components and the ring-opening polymerization of additives and cyclic carbonate solvents. The key findings of this work emphasize that the optimization of solvent compositions and the manipulation of the additives are facile and effective to enhance the Li metal battery performances.

Li metal batteries, dual-salt electrolyte, additiv↗
DOE OSTI2017

An optimization-based web application for synthesis and analysis of biomass-to-fuel strategies: An optimization-based web application for synthesis and analysis of biomass-to-fuel strategies

We develop an optimization-based web application for assessing biomass-to-fuels strategies based on the Biomass Utilization Superstructure (BUS) framework. This web application allows researchers with limited knowledge of optimization to assess different technologies employed at different strategies and identify the major cost drivers. The user must only provide the necessary parameters and create an optimization run after identifying the question to be addressed and the assessment metric. The web application generates visual representations of the results once the optimal solution is obtained. Finally, we demonstrate the applicability of the web application through an example.

09 BIOMASS FUELS↗
DOE OSTI2018

Topology optimization of finite strain viscoplastic systems under transient loads [Dynamic topology optimization based on finite strain visco-plasticity]

In this paper, a transient finite strain viscoplastic model is implemented in a gradient-based topology optimization framework to design impact mitigating structures. The model's kinematics relies on the multiplicative split of the deformation gradient, and the constitutive response is based on isotropic hardening viscoplasticity. To solve the mechanical balance laws, the implicit Newmark-beta method is used together with a total Lagrangian finite element formulation. The optimization problem is regularized using a partial differential equation filter and solved using the method of moving asymptotes. Sensitivities required to solve the optimization problem are derived using the adjoint method. To demonstrate the capability of the algorithm, several protective systems are designed, in which the absorbed viscoplastic energy is maximized. Finally, the numerical examples demonstrate that transient finite strain viscoplastic effects can successfully be combined with topology optimization.

42 ENGINEERING↗
DOE OSTI2025

Optimizing the optimizer for physics-informed neural networks and Kolmogorov-Arnold networks

Physics-Informed Neural Networks (PINNs) have revolutionized the computation of PDE solutions by integrating partial differential equations (PDEs) into the neural network’s training process as soft constraints, becoming an important component of the scientific machine learning (SciML) ecosystem. More recently, physics-informed Kolmogorv-Arnold networks (PIKANs) have also shown to be effective and comparable in accuracy with PINNs. In their current implementation, both PINNs and PIKANs are mainly optimized using first-order methods like Adam, as well as quasi-Newton methods such as BFGS and its low-memory variant, L-BFGS. However, these optimizers often struggle with highly nonlinear and non-convex loss landscapes, leading to challenges such as slow convergence, local minima entrapment, and (non)degenerate saddle points. In this study, we investigate the performance of Self- Scaled BFGS (SSBFGS), Self-Scaled Broyden (SSBroyden) methods and other advanced quasi-Newton schemes, including BFGS and L-BFGS with different line search strategies. These methods dynamically rescale updates based on historical gradient information, thus enhancing training efficiency and accuracy. We systematically compare these optimizers – using both PINNs and PIKANs – on key challenging PDEs, including the Burgers, Allen-Cahn, Kuramoto-Sivashinsky, Ginzburg-Landau, and Stokes equations. Additionally, we evaluate the performance of SSBFGS and SSBroyden for Deep Operator Network (DeepONet) architectures, demonstrating their effectiveness for data-driven operator learning. Our findings provide state-of-the-art results with orders-of-magnitude accuracy improvements without the use of adaptive weights or any other enhancements typically employed in PINNs. More broadly, our work reveal insights into the effectiveness of quasi-Newton optimization strategies in significantly improving the convergence and accurate generalization of PINNs and PIKANs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Optimal Orbital Selection for Full Configuration Interaction (OptOrbFCI): Pursuing the Basis Set Limit under a Budget

Full configuration interaction (FCI) solvers are limited to small basis sets due to their expensive computational costs. An optimal orbital selection for FCI (OptOrbFCI) is proposed to boost the power of existing FCI solvers to pursue the basis set limit under a computational budget. The optimization problem coincides with that of the complete active space SCF method (CASSCF), while OptOrbFCI is algorithmically quite different. OptOrbFCI effectively finds an optimal rotation matrix via solving a constrained optimization problem directly to compress the orbitals of large basis sets to one with a manageable size, conducts FCI calculations only on rotated orbital sets, and produces a variational ground-state energy and its wave function. Coupled with coordinate descent full configuration interaction (CDFCI), we demonstrate the efficiency and accuracy of the method on the carbon dimer and nitrogen dimer under basis sets up to cc-pV5Z. We also benchmark the binding curve of the nitrogen dimer under the cc-pVQZ basis set with 28 selected orbitals, which provide consistently lower ground-state energies than the FCI results under the cc-pVDZ basis set. Furthermore, the dissociation energy in this case is found to be of higher accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Communication: Optimal parameters for basin-hopping global optimization based on Tsallis statistics

A fundamental problem associated with global optimization is the large free energy barrier for the corresponding solid-solid phase transitions for systems with multi-funnel energy landscapes. To address this issue we consider the Tsallis weight instead of the Boltzmann weight to define the acceptance ratio for basin-hopping global optimization. Benchmarks for atomic clusters show that using the optimal Tsallis weight can improve the efficiency by roughly a factor of two. We present a theory that connects the optimal parameters for the Tsallis weighting, and demonstrate that the predictions are verified for each of the test cases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Next-Cycle Optimal Fuel Control for Cycle-to-Cycle Variability Reduction in EGR-Diluted Combustion

In this simulation study, cycle-to-cycle fuel control was used to reduce CCV by injecting additional fuel in operating conditions with sporadic misfires and partial burns. An optimal control policy was proposed that utilizes 1) a physics-based model that tracks in-cylinder gas composition and 2) a one-step-ahead prediction of the combustion efficiency based on a kernel density estimator. The optimal solution, however, presents a tradeoff between the reduction in combustion CCV and the increase in fuel injection quantity required to stabilize the charge. Such a tradeoff can be ad- just by a single parameter embedded in the cost function.

Maldonado, BryanP. [Oak Ridge National Lab. (ORNL)↗
DOE OSTI2021

Analysis and Optimization of a Multi-Layer Integrated Organic Substrate for High Current GaN HEMT-Based Power Module

In this paper, analysis and optimization of a multi-layer organic substrate for high current GaN HEMT based power module are discussed. The organic multi-layer substrates can provide high electrical performance in terms of low parasitic inductance in the power loop by providing vertical layout, and shielding for reduction of common-mode noise, a common problem in fast switching power converters. Furthermore, high performance cooling solutions, such as micro-channel heat sinks, can be directly bonded to the substrate for optimum thermal management. The structure of the proposed architecture, thermal analysis and optimization of layer thickness, thermo-mechanical stress analysis of the GaN HEMT and development of a high-performance heat sink are discussed.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

WE-AB-209-09: Optimization of Rotational Arc Station Parameter Optimized Radiation Therapy

Purpose: To develop a fast optimization method for station parameter optimized radiation therapy (SPORT) and show that SPORT is capable of improving VMAT in both plan quality and delivery efficiency. Methods: The angular space from 0° to 360° was divided into 180 station points (SPs). A candidate aperture was assigned to each of the SPs based on the calculation results using a column generation algorithm. The weights of the apertures were then obtained by optimizing the objective function using a state-of-the-art GPU based Proximal Operator Graph Solver (POGS) within seconds. Apertures with zero or low weight were thrown out. To avoid being trapped in a local minimum, a stochastic gradient descent method was employed which also greatly increased the convergence rate of the objective function. The above procedure repeated until the plan could not be improved any further. A weighting factor associated with the total plan MU also indirectly controlled the complexities of aperture shapes. The number of apertures for VMAT and SPORT was confined to 180. The SPORT allowed the coexistence of multiple apertures in a single SP. The optimization technique was assessed by using three clinical cases (prostate, H&N and brain). Results: Marked dosimetric quality improvement was demonstrated in the SPORT plans for all three studied cases. Prostate case: the volume of the 50% prescription dose was decreased by 22% for the rectum. H&N case: SPORT improved the mean dose for the left and right parotids by 15% each. Brain case: the doses to the eyes, chiasm and inner ears were all improved. SPORT shortened the treatment time by ∼1 min for the prostate case, ∼0.5 min for brain case, and ∼0.2 min for the H&N case. Conclusion: The superior dosimetric quality and delivery efficiency presented here indicates that SPORT is an intriguing alternative treatment modality.

60 APPLIED LIFE SCIENCES↗