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Results for “Partial Optimization”

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 OSTI2023

Learning heterogeneous reaction kinetics from X-ray movies pixel-by-pixel

Reaction rates at spatially heterogeneous, unstable interfaces are notoriously difficult to quantify, yet are essential in engineering many chemical systems, such as batteries 1 and electrocatalysts 2. Experimental characterizations of such materials by operando microscopy produce rich image datasets 3–6, but data-driven methods to learn physics from these images are still lacking because of the complex coupling of reaction kinetics, surface chemistry and phase separation 7. Here we show that heterogeneous reaction kinetics can be learned from in situ scanning transmission X-ray microscopy (STXM) images of carbon-coated lithium iron phosphate (LFP) nanoparticles. Combining a large dataset of STXM images with a thermodynamically consistent electrochemical phase-field model, partial differential equation (PDE)-constrained optimization and uncertainty quantification, we extract the free-energy landscape and reaction kinetics and verify their consistency with theoretical models. We also simultaneously learn the spatial heterogeneity of the reaction rate, which closely matches the carbon-coating thickness profiles obtained through Auger electron microscopy (AEM). Across 180,000 image pixels, the mean discrepancy with the learned model is remarkably small (<7%) and comparable with experimental noise. Our results open the possibility of learning nonequilibrium material properties beyond the reach of traditional experimental methods and offer a new non-destructive technique for characterizing and optimizing heterogeneous reactive surfaces.

Chueh, William↗
DOE OSTI2026

Design of a GammaT-Jump System for Fermilab Booster

A $\gamma_{T}$ scheme may be required for the PIP-II era performance or ACE-MIRT era performance of the Booster. PIP-II era operations of the Fermilab proton complex will require the Fermilab Booster to increase beam intensity from 4.5e12 to 6.7e12 protons, while also increasing its ramp from 15 Hz to 20 Hz. These changes pose particular challenges for transition-crossing in the Booster, where longitudinal beam quality must be controlled in order to facilitate slip-stacking in the Recycler Ring later in the Main Injector cycle. Two novel $\gamma_{T}$-jump schemes are proposed, termed Double $\gamma_{T}$ jump and Partial $\gamma_{T}$-jump , which optimize the magnitude of the $\gamma_{T}$-jump within optics and power supply constraints.

Eldred, J. [Fermilab] (ORCID:000000034432072X)↗
NASA NTRS1989

An investigation of using an RQP based method to calculate parameter sensitivity derivatives

Estimation of the sensitivity of problem functions with respect to problem variables forms the basis for many of our modern day algorithms for engineering optimization. The most common application of problem sensitivities has been in the calculation of objective function and constraint partial derivatives for determining search directions and optimality conditions. A second form of sensitivity analysis, parameter sensitivity, has also become an important topic in recent years. By parameter sensitivity, researchers refer to the estimation of changes in the modeling functions and current design point due to small changes in the fixed parameters of the formulation. Methods for calculating these derivatives have been proposed by several authors (Armacost and Fiacco 1974, Sobieski et al 1981, Schmit and Chang 1984, and Vanderplaats and Yoshida 1985). Two drawbacks to estimating parameter sensitivities by current methods have been: (1) the need for second order information about the Lagrangian at the current point, and (2) the estimates assume no change in the active set of constraints. The first of these two problems is addressed here and a new algorithm is proposed that does not require explicit calculation of second order information.

Beltracchi, Todd J.↗
NASA NTRS1988

Stochastic time-optimal control problems

Two types of stochastic time-optimal controls in a one-dimensional setting are considered. Multidimensional problems, in the case of complete state information available and the system modeled by stochastic differential equations, are studied under the formulation of minimizing the expected transient-response time. The necessary condition of optimality is the satisfaction for the value function of a parabolic partial differential equation with boundary conditions. The sufficient condition of optimality is also provided, based on Dynkin's formula. Finally, three examples are given.

Zhang, W.↗
NASA NTRS1991

One shot methods for optimal control of distributed parameter systems 1: Finite dimensional control

The efficient numerical treatment of optimal control problems governed by elliptic partial differential equations (PDEs) and systems of elliptic PDEs, where the control is finite dimensional is discussed. Distributed control as well as boundary control cases are discussed. The main characteristic of the new methods is that they are designed to solve the full optimization problem directly, rather than accelerating a descent method by an efficient multigrid solver for the equations involved. The methods use the adjoint state in order to achieve efficient smoother and a robust coarsening strategy. The main idea is the treatment of the control variables on appropriate scales, i.e., control variables that correspond to smooth functions are solved for on coarse grids depending on the smoothness of these functions. Solution of the control problems is achieved with the cost of solving the constraint equations about two to three times (by a multigrid solver). Numerical examples demonstrate the effectiveness of the method proposed in distributed control case, pointwise control and boundary control problems.

Taasan, Shlomo↗
DOE OSTI2023

Improving the Accuracy of Variational Quantum Eigensolvers with Fewer Qubits Using Orbital Optimization

Near-term quantum computers will be limited in the number of qubits on which they can process information as well as the depth of the circuits that they can coherently carry out. To date, experimental demonstrations of algorithms such as the Variational Quantum Eigensolver (VQE) have been limited to small molecules using minimal basis sets for this reason. In this work we propose incorporating an orbital optimization scheme into quantum eigensolvers wherein a parametrized partial unitary transformation is applied to the basis functions set in order to reduce the number of qubits required for a given problem. The optimal transformation is found by minimizing the ground state energy with respect to this partial unitary matrix. Through numerical simulations of small molecules up to 16 spin orbitals, we demonstrate that this method has the ability to greatly extend the capabilities of near-term quantum computers with regard to the electronic structure problem. Finally, we find that VQE paired with orbital optimization consistently achieves lower ground state energies than traditional VQE when using the same number of qubits and even frequently achieves lower ground state energies than VQE methods using more qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2015

Impact of Airspace Charges on Transatlantic Aircraft Trajectories

Aircraft flying over the airspace of different countries are subject to over-flight charges. These charges vary from country to country. Airspace charges, while necessary to support the communication, navigation and surveillance services, may lead to aircraft flying routes longer than wind-optimal routes and produce additional carbon dioxide and other gaseous emissions. This paper develops an optimal route between city pairs by modifying the cost function to include an airspace cost whenever an aircraft flies through a controlled airspace without landing or departing from that airspace. It is assumed that the aircraft will fly the trajectory at a constant cruise altitude and constant speed. The computationally efficient optimal trajectory is derived by solving a non-linear optimal control problem. The operational strategies investigated in this study for minimizing aircraft fuel burn and emissions include flying fuel-optimal routes and flying cost-optimal routes that may completely or partially reduce airspace charges en route. The results in this paper use traffic data for transatlantic flights during July 2012. The mean daily savings in over-flight charges, fuel cost and total operation cost during the period are 17.6 percent, 1.6 percent, and 2.4 percent respectively, along the cost- optimal trajectories. The transatlantic flights can potentially save $600,000 in fuel cost plus $360,000 in over-flight charges daily by flying the cost-optimal trajectories. In addition, the aircraft emissions can be potentially reduced by 2,070 metric tons each day. The airport pairs and airspace regions that have the highest potential impacts due to airspace charges are identified for possible reduction of fuel burn and aircraft emissions for the transatlantic flights. The results in the paper show that the impact of the variation in fuel price on the optimal routes is to reduce the difference between wind-optimal and cost-optimal routes as the fuel price increases. The additional fuel consumption is quantified using the 30 percent variation in fuel prices during March 2014 to March 2015.

aircraft scheduling↗
NASA NTRS2016

Integrated Medical Model (IMM) Optimization Version 4.0 Functional Improvements

The IMMs ability to assess mission outcome risk levels relative to available resources provides a unique capability to provide guidance on optimal operational medical kit and vehicle resources. Post-processing optimization allows IMM to optimize essential resources to improve a specific model outcome such as maximization of the Crew Health Index (CHI), or minimization of the probability of evacuation (EVAC) or the loss of crew life (LOCL). Mass and or volume constrain the optimized resource set. The IMMs probabilistic simulation uses input data on one hundred medical conditions to simulate medical events that may occur in spaceflight, the resources required to treat those events, and the resulting impact to the mission based on specific crew and mission characteristics. Because IMM version 4.0 provides for partial treatment for medical events, IMM Optimization 4.0 scores resources at the individual resource unit increment level as opposed to the full condition-specific treatment set level, as done in version 3.0. This allows the inclusion of as many resources as possible in the event that an entire set of resources called out for treatment cannot satisfy the constraints. IMM Optimization version 4.0 adds capabilities that increase efficiency by creating multiple resource sets based on differing constraints and priorities, CHI, EVAC, or LOCL. It also provides sets of resources that improve mission-related IMM v4.0 outputs with improved performance compared to the prior optimization. The new optimization represents much improved fidelity that will improve the utility of the IMM 4.0 for decision support.

risk assessment↗
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↗
NASA NTRS1971

Two examples in the time optimal control theory of distributed parameter systems.

The behavior of hyperbolic and parabolic partial differential equations is contrasted by studying the point-to-point time-optimal control problem for the equation of heat conduction and the equation of motion of a vibrating string. A maximal principle is obtained for the time-optimal control of the one-dimensional heat equation, and it is proven that time optimal controls are weakly bang-bang. The bang-bang principle is proven to be invalid for hyperbolic equations because of the finite speed of wave propagation. In the case of boundary value control of the vibrating spring, the latter is demonstrated by deriving an explicit formula for the time optimal control.

Quinn, J. P.↗
NASA NTRS1972

Second derivatives of the flutter velocity and the optimization of aircraft structures.

Equations for the second partial derivatives of the eigenvalues of the flutter equation along with the equations for finding the second partial derivatives of the flutter velocity of an aircraft structure with respect to the structural parameters are derived. These partial derivatives are used to develop expressions for the step size in a projected gradient search along a constant mass hyperlane. A projected gradient search along with a gradient mass and a gradient velocity search is used to minimize the mass of a box beam which supports a lifting surface.

Rudisill, C. S.↗
NASA NTRS1999

Approximation of the Newton Step by a Defect Correction Process

In this paper, an optimal control problem governed by a partial differential equation is considered. The Newton step for this system can be computed by solving a coupled system of equations. To do this efficiently with an iterative defect correction process, a modifying operator is introduced into the system. This operator is motivated by local mode analysis. The operator can be used also for preconditioning in Generalized Minimum Residual (GMRES). We give a detailed convergence analysis for the defect correction process and show the derivation of the modifying operator. Numerical tests are done on the small disturbance shape optimization problem in two dimensions for the defect correction process and for GMRES.

Arian, E.↗
NASA NTRS1985

Constrained optimization for image restoration using nonlinear programming

The constrained optimization problem for image restoration, utilizing incomplete information and partial constraints, is formulated using nonlinear proramming techniques. This method restores a distorted image by optimizing a chosen object function subject to available constraints. The penalty function method of nonlinear programming is used. Both linear or nonlinear object function, and linear or nonlinear constraint functions can be incorporated in the formulation. This formulation provides a generalized approach to solve constrained optimization problems for image restoration. Experiments using this scheme have been performed. The results are compared with those obtained from other restoration methods and the comparative study is presented.

Yeh, C.-L.↗
DOE OSTI2020

Hardware Design and Demonstration of a 100kW, 99% Efficiency Dual Active Half Bridge Converter Based on 1700V SiC Power MOSFET

High efficiency, high density and galvanically isolated power converters are attractive for numerous medium voltage high power applications. This paper presents a 1.5kVdc, 100kW bidirectional Dual Active Half Bridge (DAHB) using newly developed 1.7kV SiC MOSFET modules. The DAHB achieved an efficiency of 98.6% at full load of 100kW and a maximum of 99% at 45kW, operating as an isolated DC/DC converter. The converter also achieved an efficiency of 97.8% operating as an isolated DC/AC inverter. An optimized PCB-based busbar design has significantly reduced the voltage overshoot across the device, making the design suitable for 1500Vdc input application such as 1500V PV inverters. Typical partial discharge inception voltage (PDIV) of the optimized PCB busbar is 1.7kVpeak with total charge <10pC. The power density of the DAHB converter is 1.8MVA/m 3 which is much higher than traditional two-stage industry products. The DAHB converter can be used as a building block for a 4.16kV/1MVA utility scale PV systems with input parallel and output series configuration.

Xu, Wei↗
DOE OSTI2025

Monitoring Sulfuric Acid and Temperature Using Raman Spectroscopy and Multivariate Chemometrics

Multivariate regression models were optimized for the quantification of sulfuric acid (H 2 SO 4 ) [0–8 M] and temperature (20 °C–80 °C) in the presence of ammonium sulfate ((NH 4 ) 2 SO 4 [0–0.6 M]) using Raman spectroscopy. Optical vibrational spectroscopy is a useful nondestructive technique for the in situ analysis of complex chemical systems notoriously difficult to monitor in situ and in real-time. Multivariate analysis, a chemometrics method, can be paired with these nondestructive optical methods for determining analyte concentration and speciation in complex solutions, such as dissociated species in polyprotic acids, e.g., H 2 SO 4 . The effect of temperature is often overlooked although it can have a major influence on speciation and the corresponding Raman spectra. Here, in this study, partial least squares regression models were optimized for the quantification of H 2 SO 4 and its two deprotonated forms as a function of temperature. Measuring bisulfate as a function of temperature is particularly challenging owing to changes in the second dissociation constant. A designed training set effectively minimized the sample set size and trained a robust predictive model with percent root mean square error of <3% for H 2 SO 4 . The practical strategy employed here was demonstrated to be effective for building chemometric models that directly account for dynamic temperatures with static samples and is shown to be amenable to flow cell analysis applications with a simple calibration transfer for process monitoring applications.

D-optimal design↗
DOE OSTI2020

Analytical solution for partial heating on the exterior of the pipe with application to measuring fluid flow rate

An analytical model using Green’s functions for partial external heating of a pipe is developed, which results in an exact mathematical solution for the radial and axial temperature distribution in the pipe wall. Partial heating consists of a constant heat flux function imposed over a small section of the exterior of a pipe and for a limited time duration. The solution comprises steady-state and transient parts, and an algebraic identity is used to decrease the number of summation terms in the slowly-converging steady- state part. Intrinsic verification principles are used to verify the solution. As an example application, this transient solution is applied toward the development of a simple, noninvasive method for in-field measurement of the flow rate in pipes. Furthermore, to simulate this application, a pulse of energy is imposed to the wall of the pipe, and the developed mathematical solution is used to find the flow rate of the fluid inside the pipe. An optimal experiment is designed to find the best measurement location and time.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Plastic work constrained elastoplastic topology optimization

An elastoplastic topology optimization framework for limiting plastic work generation while maximizing stiffness is presented. The kinematics and constitutive model are based on finite strain linear isotropic hardening plasticity, and the balance laws are solved using a total Lagrangian finite element formulation. Aggregation of the specific plastic work combined with an adaptive normalization scheme efficiently constrains the maximum specific plastic work. The optimization problem is regularized using an augmented partial differential equation filter, and is solved by the method of moving asymptotes where path-dependent sensitivities are derived using the adjoint method. The numerical examples show a clear dependence on the optimized maximum stiffness structures for different levels of constrained specific plastic work. It is also shown that due to the history dependency of the plasticity, the load path significantly influences the structural performance and optimized topology.

42 ENGINEERING↗