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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 127 records · Page 7
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Analytical Partial Derivatives of the Q-Law Guidance Algorithm

One method of producing low-thrust trajectories is the closed-loop Q-Law guidance algorithm. This work wraps Q-Law inside a nonlinear programming problem to search for locally optimal gain combinations and enforce nonlinear constraints on the initial state. Gradient-based trajectory optimization has been shown to benefit greatly when analytical partial derivatives are supplied to the optimizer. This paper presents the Q-Law optimization problem setup and derives the Q-Law thrust vector partial derivatives for the State Transition Matrix required by standard nonlinear optimization software.

Jackson L Shannon↗
NASA NTRS1982

Estimation of distributed parameter systems

The estimation and control of large flexible space structures pose significant new control technology problems. One major problem area is the closed-loop stability of a structure that has been modeled with truncated modal dynamics. Stability problems arise due to the control design process beginning with a deficient model. This work provides the necessary conditions for the optimal estimation of infinite dimensional (partial-differential equation) systems. This approach can be particularly useful for initial control studies and for gaining considerable insight into what the optimal estimator for a truly infinite dimensional system should be. A detailed example of the estimation of the continuous shape of a string in tension is presented.

Schaechter, D. B.↗
DOE OSTI2021

KKT Preconditioners for PDE-Constrained Optimization with the Helmholtz Equation

This paper considers preconditioners for the linear systems that arise from optimal control and inverse problems involving the Helmholtz equation. Specifically, we explore an all-at-once approach. The main contribution centers on the analysis of two block preconditioners. Variations of these preconditioners have been proposed and analyzed in prior works for optimal control problems where the underlying partial differential equation is a Laplace-like operator. In this paper, we extend some of the prior convergence results to Helmholtz-based optimization applications. Our analysis examines situations where control variables and observations are restricted to subregions of the computational domain. We prove that solver convergence rates do not deteriorate as the mesh is refined or as the wavenumber increases. More specifically, for one of the preconditioners we prove accelerated convergence as the wavenumber increases. Additionally, in situations where the control and observation subregions are disjoint, we observe that solver convergence rates have a weak dependence on the regularization parameter. We give a partial analysis of this behavior. We illustrate the performance of the preconditioners on control problems motivated by acoustic testing.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2010

Metabolic Costs and Biomechanics of Inclined Ambulation and Exploration Tasks in a Planetary Suit

Observations from Apollo lunar surface extravehicular activities (EVAs) and a few studies conducted in partial-gravity simulation environments have helped us understand suited human performance in reduced-gravity environments. The Constellation Program EVA Systems Project Office initiated a series of tests aimed at increasing our understanding of human performance and suit kinematics under various simulated lunar EVA conditions, including matched unsuited controls, to identify the specific metabolic costs and biomechanics of the prototype Mark III Advanced Spacesuit Technology Demonstrator. A primary goal of the series is to provide evidence-based recommendations for suit mass, center of gravity, pressure, and suit kinematic constraints that optimize human performance in partial-gravity environments. Results will be combined with studies in other lunar analogs to evaluate the effectiveness and limitations of these environments. As our understanding of suited human performance matures, different combinations of variables can be evaluated to determine whether significant interactions exist between parameters. This report provides an overview of key findings of Integrated Suit Test (IST)-2. As future tests are completed, focusing on other suit factors, analog environments, or different suits, study results will be combined and reevaluated. The series of tests comprising IST-2 was conducted from June 13, 2007 through October 24, 2007.

Aerospace environments↗
DOE OSTI2023

Parameter Transfer for Quantum Approximate Optimization of Weighted MaxCut

Finding high-quality parameters is a central obstacle to using the quantum approximate optimization algorithm (QAOA). Previous work partially addresses this issue for QAOA on unweighted MaxCut problems by leveraging similarities in the objective landscape among different problem instances. However, we show that the more general weighted MaxCut problem has significantly modified objective landscapes, with a proliferation of poor local optima. Our main contribution is a simple rescaling scheme that overcomes these deleterious effects of weights. Here we show that for a given QAOA depth, a single “typical” vector of QAOA parameters can be successfully transferred to weighted MaxCut instances. This transfer leads to a median decrease in the approximation ratio of only 2.0 percentage points relative to a considerably more expensive direct optimization on a dataset of 34,701 instances with up to 20 nodes and multiple weight distributions. This decrease can be reduced to 1.2 percentage points at the cost of only 10 additional QAOA circuit evaluations with parameters sampled from a pretrained metadistribution, or the transferred parameters can be used as a starting point for a single local optimization run to obtain approximation ratios equivalent to those achieved by exhaustive optimization in 96.35% of our cases.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1971

Optimal control theory for non-scalar-valued performance criteria

The theory of optimal control for nonscalar-valued performance criteria is discussed. In the space, where the performance criterion attains its value, the relations better than, worse than, not better than, and not worse than are defined by a partial order relation. The notion of optimality splits up into superiority and non-inferiority, because worse than is not the complement of better than, in general. A superior solution is better than every other solution. A noninferior solution is not worse than any other solution. Noninferior solutions have been investigated particularly for vector-valued performance criteria. Superior solutions for non-scalar-valued performance criteria attaining their values in abstract partially ordered spaces are emphasized. The main result is the infimum principle which constitutes necessary conditions for a control to be a superior solution to an optimal control problem.

Gerring, H. P.↗
DOE OSTI2021

Calibration of elastoplastic constitutive model parameters from full-field data with automatic differentiation-based sensitivities

Here, we present a framework for calibration of parameters in elastoplastic constitutive models that is based on the use of automatic differentiation (AD). The model calibration problem is posed as a partial differential equation-constrained optimization problem where a finite element (FE) model of the coupled equilibrium equation and constitutive model evolution equations serves as the constraint. The objective function quantifies the mismatch between the displacement predicted by the FE model and full-field digital image correlation data, and the optimization problem is solved using gradient-based optimization algorithms. Forward and adjoint sensitivities are used to compute the gradient at considerably less cost than its calculation from finite difference approximations. Through the use of AD, we need only to write the constraints in terms of AD objects, where all of the derivatives required for the forward and inverse problems are obtained by appropriately seeding and evaluating these quantities. We present three numerical examples that verify the correctness of the gradient, demonstrate the AD approach's parallel computation capabilities via application to a large-scale FE model, and highlight the formulation's ease of extensibility to other classes of constitutive models.

42 ENGINEERING↗
DOE OSTI2021

Quantification of manganese for ChemCam Mars and laboratory spectra using a multivariate model

In this work, we report a new calibration model for manganese using the laser-induced breakdown spectroscopy instrument that is part of the ChemCam instrument suite onboard the NASA Curiosity rover. The model has been trained using an expanded set of 523 manganese-bearing rock, mineral, metal ore, and synthetic standards. The optimal calibration model uses the Partial Least Squares (PLS) and Least Absolute Shrinkage and Selection Operator (LASSO) multivariate techniques, with a novel “double blending” technique. We determined the detection limit for manganese is 82 ppm using a method blank procedure and is possibly as low as 27 ppm based on visual inspection of the spectra. Based on a representative test set consisting of measurements on 93 standards, the double blended multivariate model shows a Root Mean Squared Error of Prediction (RMSEP) accuracy of 1.39 wt% MnO for the full blended model. Employing a local RMSEP estimate where the model performance is evaluated based on nearby test samples, the accuracy is 0.03 wt% at the quantification limit (0.05 wt% MnO), 0.4 wt% accuracy at 1.0 wt% MnO, and 4.4 wt% accuracy at 100 wt% MnO. Precision is estimated using the standard deviation of the test set measurements, and is ±0.01 wt% MnO at the quantification limit, ±0.09 wt% MnO at 1.0 wt% MnO, and ± 2.1 wt% MnO at 100 wt% MnO (all 1 standard deviation). This new calibration is important for understanding the variation of manganese in the bedrock with the Curiosity rover on Mars, which provides insight into past redox conditions on Mars.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Learning heterogeneous reaction kinetics from X-ray videos 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 and electrocatalysts. Experimental characterizations of such materials by operando microscopy produce rich image datasets, 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. 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.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A Generalized Stress Inversion Approach With Application to Residual Stress Estimation

In this work develop a generalized stress inversion technique (or the generalized inversion method) capable of recovering stresses in linear elastic bodies subjected to arbitrary cuts. Specifically, given a set of displacement measurements found experimentally from digital image correlation (DIC), we formulate a stress estimation inverse problem as a partial differential equation-constrained optimization problem. We use gradient-based optimization methods, and we accordingly derive the necessary gradient and Hessian information in a matrix-free form to allow for parallel, large-scale operations. By using a combination of finite elements, DIC, and a matrix-free optimization framework, the generalized inversion method can be used on any arbitrary geometry, provided that the DIC camera can view a sufficient part of the surface. We present numerical simulations and experiments, and we demonstrate that the generalized inversion method can be applied to estimate residual stress.

42 ENGINEERING↗
DOE OSTI2021

A Liquid–Vapor Two-Phase Model of Direct Methanol Fuel Cells With Platinum Group Metal-Free Cathode Catalyst

Abstract This study has developed a two-dimensional, two-phase transport model to investigate the transport characteristics in direct methanol fuel cells (DMFCs) using platinum group metal (PGM)-free cathode catalysts. The model considered anisotropic properties of the gas diffusion layer (GDL) caused by current collector’s mechanical compression, the interfacial mass transfer of water and methanol between liquid and vapor, and unique properties of the cathode PGM-free catalyst layer. Results showed that the liquid methanol solution from the anode could provide sufficient water to hydrate the proton exchange membrane (PEM), and the relative humidity of the cathode air did not impact the membrane hydration. Fully hydrating the cathode air may deteriorate the fuel cell performance, especially when the operating temperature is close to 100 °C because the exponential increase of the saturated water pressure with temperature decreased the partial pressure of oxygen. The optimized operating temperature increased with the increase of air pressure and was about 80 °C at 1.5 atm cathode pressure. To achieve the US Department of Energy’s performance target of 300 mW/cm2 peak power density, catalytic activities of both the anode and cathode catalysts need to be improved by one order of magnitude compared with the state-of-the-art commercial catalysts.

Electrochemistry↗
DOE OSTI2021

pnnl/neuromancer

Dynamics-based deep learning methods to modernize current scientific computing methods. Neuromancer is currently capable of solving inverse problems for a system of ordinary differential equations. The functionality includes system identification and constrained optimal control of unknown or partially known ODEs.

Skomski, Elliott↗
DOE OSTI2023

BayFlux: A Bayesian method to quantify metabolic Fluxes and their uncertainty at the genome scale

Metabolic fluxes, the number of metabolites traversing each biochemical reaction in a cell per unit time, are crucial for assessing and understanding cell function. 13 C Metabolic Flux Analysis ( 13 C MFA) is considered to be the gold standard for measuring metabolic fluxes. 13 C MFA typically works by leveraging extracellular exchange fluxes as well as data from 13 C labeling experiments to calculate the flux profile which best fit the data for a small, central carbon, metabolic model. However, the nonlinear nature of the 13 C MFA fitting procedure means that several flux profiles fit the experimental data within the experimental error, and traditional optimization methods offer only a partial or skewed picture, especially in “non-gaussian” situations where multiple very distinct flux regions fit the data equally well. Here, we present a method for flux space sampling through Bayesian inference (BayFlux), that identifies the full distribution of fluxes compatible with experimental data for a comprehensive genome-scale model. This Bayesian approach allows us to accurately quantify uncertainty in calculated fluxes. We also find that, surprisingly, the genome-scale model of metabolism produces narrower flux distributions (reduced uncertainty) than the small core metabolic models traditionally used in 13 C MFA. The different results for some reactions when using genome-scale models vs core metabolic models advise caution in assuming strong inferences from 13 C MFA since the results may depend significantly on the completeness of the model used. Based on BayFlux, we developed and evaluated novel methods (P- 13 C MOMA and P- 13 C ROOM) to predict the biological results of a gene knockout, that improve on the traditional MOMA and ROOM methods by quantifying prediction uncertainty.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Mobility Energy Productivity Evaluation of Prediction-Based Vehicle Powertrain Control Combined with Optimal Traffic Management

Transportation vehicle and network system efficiency can be defined in two ways: 1) reduction of travel times across all the vehicles in the system, and 2) reduction in total energy consumed by all the vehicles in the system. The mechanisms to realize these efficiencies are treated as independent (i.e., vehicle and network domains) and, when combined, they have not been adequately studied to date. This research aims to integrate previously developed and published research on Predictive Optimal Energy Management Strategies (POEMS) and Intelligent Traffic Systems (ITS), to address the need for quantifying improvement in system efficiency resulting from simultaneous vehicle and network optimization. POEMS and ITS are partially independent methods which do not require each other to function but whose individual effectiveness may be affected by the presence of the other. In order to evaluate the system level efficiency improvements, the Mobility Energy Productivity (MEP) metric is used. MEP specifically measures the connectedness of a system while accounting for time and energy externalities of modes that provide mobility in a given location. A SUMO model is developed to reflect real traffic patterns in Fort Collins, Colorado and data is collected by a probe SUMO vehicle which is validated against data collected on a real vehicle driving the same routes through the city. Individual vehicle and system level efficiencies are calculated using SUMO outputs for scenarios which integrate POEMS and ITS independently as well as jointly. Results from application of POEMS and ITS show improvement in energy consumption and travel times respectively when compared to the respective baseline scenarios. Our conclusion is that there are promising synergistic benefits to travel time and energy efficiency when POEMS and ITS are combined.

ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1970

Minimax control of a system with process uncertainty in substate space

The control of a single input-single output plant with parameter uncertainty was approached using a minimax technique. A linear time invariant controller results which requires only partial state feedback and is optimal in the sense that it minimizes a quadratic criterion involving tracking error, control, and parameter uncertainty. Bounded input-bounded output stability is guaranteed provided the transfer function has only left half plane zeros. If uncertainties are bounded, it is always possible to stabilize the system when sufficient control amplitude is available. The number of states required to generate the control is equal to the system order less the number of zeros.

Basuthakur, S.↗
NASA NTRS1979

Supercritical tests of a self-optimizing, variable-Camber wind tunnel model

A testing procedure was used in a 16-foot Transonic Propulsion Wind Tunnel which leads to optimum wing airfoil sections without stopping the tunnel for model changes. Being experimental, the optimum shapes obtained incorporate various three-dimensional and nonlinear viscous and transonic effects not included in analytical optimization methods. The method is a closed-loop, computer-controlled, interactive procedure and employs a Self-Optimizing Flexible Technology wing semispan model that conformally adapts the airfoil section at two spanwise control stations to maximize or minimize various prescribed merit functions subject to both equality and inequality constraints. The model, which employed twelve independent hydraulic actuator systems and flexible skins, was also used for conventional testing. Although six of seven optimizations attempted were at least partially convergent, further improvements in model skin smoothness and hydraulic reliability are required to make the technique fully operational.

Levinsky, E. S.↗
NASA NTRS2007

Learning Grasp Strategies Composed of Contact Relative Motions

Of central importance to grasp synthesis algorithms are the assumptions made about the object to be grasped and the sensory information that is available. Many approaches avoid the issue of sensing entirely by assuming that complete information is available. In contrast, this paper proposes an approach to grasp synthesis expressed in terms of units of control that simultaneously change the contact configuration and sense information about the object and the relative manipulator-object pose. These units of control, known as contact relative motions (CRMs), allow the grasp synthesis problem to be recast as an optimal control problem where the goal is to find a strategy for executing CRMs that leads to a grasp in the shortest number of steps. An experiment is described that uses Robonaut, the NASA-JSC space humanoid, to show that CRMs are a viable means of synthesizing grasps. However, because of the limited amount of information that a single CRM can sense, the optimal control problem may be partially observable. This paper proposes expressing the problem as a k-order Markov Decision Process (MDP) and solving it using Reinforcement Learning. This approach is tested in a simulation of a two-contact manipulator that learns to grasp an object. Grasp strategies learned in simulation are tested on the physical Robonaut platform and found to lead to grasp configurations consistently.

Platt, Robert, Jr.↗
NASA NTRS2010

The OMPS Limb Profiler Instrument: Two-Dimensional Retrieval Algorithm

The upcoming Ozone Mapper and Profiler Suite (OMPS), which will be launched on the NPOESS Preparatory Project (NPP) platform in early 2011, will continue monitoring the global distribution of the Earth's middle atmosphere ozone and aerosol. OMPS is composed of three instruments, namely the Total Column Mapper (heritage: TOMS, OMI), the Nadir Profiler (heritage: SBUV) and the Limb Profiler (heritage: SOLSE/LORE, OSIRIS, SCIAMACHY, SAGE III). The ultimate goal of the mission is to better understand and quantify the rate of stratospheric ozone recovery. The focus of the paper will be on the Limb Profiler (LP) instrument. The LP instrument will measure the Earth's limb radiance (which is due to the scattering of solar photons by air molecules, aerosol and Earth surface) in the ultra-violet (UV), visible and near infrared, from 285 to 1000 nm. The LP simultaneously images the whole vertical extent of the Earth's limb through three vertical slits, each covering a vertical tangent height range of 100 km and each horizontally spaced by 250 km in the cross-track direction. Measurements are made every 19 seconds along the orbit track, which corresponds to a distance of about 150km. Several data analysis tools are presently being constructed and tested to retrieve ozone and aerosol vertical distribution from limb radiance measurements. The primary NASA algorithm is based on earlier algorithms developed for the SOLSE/LORE and SAGE III limb scatter missions. All the existing retrieval algorithms rely on a spherical symmetry assumption for the atmosphere structure. While this assumption is reasonable in most of the stratosphere, it is no longer valid in regions of prime scientific interest, such as polar vortex and UTLS regions. The paper will describe a two-dimensional retrieval algorithm whereby the ozone distribution is simultaneously retrieved vertically and horizontally for a whole orbit. The retrieval code relies on (1) a forward 2D Radiative Transfer code (to model limb radiances within a non-uniform atmosphere and evaluate 2D analytical partial derivatives) and (2) an optimal estimator inversion routine. The algorithm uses the typically sparse nature of the kernel matrices as well as fast matrix inversion techniques to allow for fast inversion of limb data with efficient memory management (as was done for MIPAS data processing). While the method has so far only been developed in the context of Single Scatter, the paper will show how the CPU intensive Multiple Scatter modeling can be implemented using parallel CPU processing. Initial results will be presented in terms of retrieved ozone profiles and code performance.

Rault, Didier F.↗