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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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NASA NTRS1992

Adjustment of footprint correction for airborne flux mapping over the FIFE site

A meaningful interpretation of airborne flux estimates over nonuniform terrain must consider local advection from nonhomogeneous source distributions (footprint correction). An empirical procedure for footprint correction of airborne flux data obtained in the First ISLSCP Field Experiment (FIFE) 1989 is presented, based on simple analytical solutions of the diffusion equation which have been adjusted to approximate more realistic solutions. Optimized estimates of surface flux 'maps' derived from airborne observations are then constructed for maximum correlation between flux estimates and independently observed surface characteristics. This paper also includes an analysis of resolution for the given procedure, in terms of amplitude recovery of hypothetical square-wave distributions of surface flux density, and discusses its implications for the interpretation of the optimized estimates of FIFE surface flux maps. Results show that corrected spatial sink distributions are obtained by the current empirical procedure at the cost of considerable reduction in amplitude recovery of small-scale variations in surface flux density. The high spatial correlation observed between corrected flux maps and surface characteristics such as greenness or surface temperature excess is ascribed to the approximately correct positioning of the main flux gradients across the site, which can be expected to have been reproduced with amplitude recovery equal to or greater than 60 percent.

Schuepp, P. H.↗

DOE OSTI2023

Optimization Stability in Excited-State-Specific Variational Monte Carlo

Here, we investigate the issue of optimization stability in variance-based state-specific variational Monte Carlo, discussing the roles of the objective function, the complexity of wave function ansatz, the amount of sampling effort, and the choice of minimization algorithm. Using a small cyanine dye molecule as a test case, we systematically perform minimizations using variants of the linear method as both a standalone algorithm and in a hybrid combination with accelerated descent. We demonstrate that adaptive step control is crucial for maintaining the linear method's stability when optimizing complicated wave functions and that the hybrid method enjoys both greater stability and minimization performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1990

Numerical approach of collision avoidance and optimal control on robotic manipulators

Collision-free optimal motion and trajectory planning for robotic manipulators are solved by a method of sequential gradient restoration algorithm. Numerical examples of a two degree-of-freedom (DOF) robotic manipulator are demonstrated to show the excellence of the optimization technique and obstacle avoidance scheme. The obstacle is put on the midway, or even further inward on purpose, of the previous no-obstacle optimal trajectory. For the minimum-time purpose, the trajectory grazes by the obstacle and the minimum-time motion successfully avoids the obstacle. The minimum-time is longer for the obstacle avoidance cases than the one without obstacle. The obstacle avoidance scheme can deal with multiple obstacles in any ellipsoid forms by using artificial potential fields as penalty functions via distance functions. The method is promising in solving collision-free optimal control problems for robotics and can be applied to any DOF robotic manipulators with any performance indices and mobile robots as well. Since this method generates optimum solution based on Pontryagin Extremum Principle, rather than based on assumptions, the results provide a benchmark against which any optimization techniques can be measured.

Wang, Jyhshing Jack↗

DOE OSTI2019

Hierarchical Distributed Voltage Regulation in Networked Autonomous Grids

We propose a novel algorithm to solve optimal power flow (OPF) that aims at dispatching controllable distributed energy resources (DERs) for voltage regulation at minimum cost. The proposed algorithm features unprecedented scalability to large distribution networks by utilizing an information structure based on networked autonomous grids (AGs). Specifically, each AG is a subtree of a large distribution network that has a tree topology. The topology and line parameters of each AG are known only to a regional coordinator (RC) that is responsible for communicating with and dispatching the DERs within this AG. The reduced network, where each AG is treated as a node, is managed by a central coordinator (CC), which knows the topology and line parameters of the reduced network only and communicates with all the RCs. We jointly explore this information structure and the structure of the linearized distribution power flow (LinDistFlow) model to derive a hierarchical, distributed implementation of the primal-dual gradient algorithm that solves the OPF. The proposed implementation significantly reduces the computation burden compared to the centrally coordinated implementation of the primal-dual algorithm. Numerical results on a 4,521-node test feeder show that the proposed hierarchical distributed algorithm can achieve an improvement of more than tenfold in the speed of convergence compared to the centrally coordinated primal-dual algorithm.

Zhou, Xinyang↗

NASA NTRS1994

System Sensitivity Analysis Applied to the Conceptual Design of a Dual-Fuel Rocket SSTO

This paper reports the results of initial efforts to apply the System Sensitivity Analysis (SSA) optimization method to the conceptual design of a single-stage-to-orbit (SSTO) launch vehicle. SSA is an efficient, calculus-based MDO technique for generating sensitivity derivatives in a highly multidisciplinary design environment. The method has been successfully applied to conceptual aircraft design and has been proven to have advantages over traditional direct optimization methods. The method is applied to the optimization of an advanced, piloted SSTO design similar to vehicles currently being analyzed by NASA as possible replacements for the Space Shuttle. Powered by a derivative of the Russian RD-701 rocket engine, the vehicle employs a combination of hydrocarbon, hydrogen, and oxygen propellants. Three primary disciplines are included in the design - propulsion, performance, and weights & sizing. A complete, converged vehicle analysis depends on the use of three standalone conceptual analysis computer codes. Efforts to minimize vehicle dry (empty) weight are reported in this paper. The problem consists of six system-level design variables and one system-level constraint. Using SSA in a 'manual' fashion to generate gradient information, six system-level iterations were performed from each of two different starting points. The results showed a good pattern of convergence for both starting points. A discussion of the advantages and disadvantages of the method, possible areas of improvement, and future work is included.

Olds, John R.↗

DOE OSTI2019

Hierarchical Distributed Voltage Regulation in Networked Autonomous Grids: Preprint

We propose a novel algorithm to solve optimal power flow (OPF) that aims at dispatching controllable distributed energy resources (DERs) for voltage regulation at minimum cost. The proposed algorithm features unprecedented scalability to large distribution networks by utilizing an information structure based on networked autonomous grids (AGs). Specifically, each AG is a subtree of a large distribution network that has a tree topology. The topology and line parameters of each AG are known only to a regional coordinator (RC) that is responsible for communicating with and dispatching the DERs within this AG. The reduced network, where each AG is treated as a node, is managed by a central coordinator (CC), which knows the topology and line parameters of the reduced network only and communicates with all the RCs. We jointly explore this information structure and the structure of the linearized distribution power flow (LinDistFlow) model to derive a hierarchical, distributed implementation of the primal-dual gradient algorithm that solves OPF. The proposed implementation significantly reduces the computation burden compared to the centrally coordinated implementation of the primal-dual algorithm. Numerical results on a 4,521-node test feeder show that the proposed hierarchical distributed algorithm can achieve more than 10-fold improvement in the speed of convergence compared to the centrally coordinated primal-dual algorithm.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2019

Hierarchical Distributed Voltage Regulation in Networked Autonomous Grids

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

Learning model combining convolutional deep neural network with a self-attention mechanism for AC optimal power flow

Alternating current optimal power flow (OPF) analysis is critical for efficient and reliable operation of power systems. For large systems or repetitive computations, the traditional methods such as the direct and gradient methods, or non-traditional methods, such as the genetic algorithm and simulating annealing, are time-consuming and unsuitable for real-time computing. The work in this paper proposes a novel framework to obtain the optimal solution of power flow in real-time using a combination of convolutional neural networks and a self-attention mechanism. All parameters of the power networks are rearranged in an image-like shape of a multi-channel image where each channel is a two-dimensional matrix. The proposed approach is adaptive with every input size of power systems as well as frequent variations of network topologies without intervention to the framework core. The encompassment of all power system contexts in which all parameters of internal elements, generation costs, and topology information are included, contributes to the higher accuracy of inference compared to other current machine-learning-based OPF-solving methods. Besides, the proposed framework established on ubiquitous platforms is effortlessly integrated into current infrastructures of power systems, and the great efficiency along with the computation speed may serve as a critical point for practical implications, such as enabling faster decision-making during real-time operations, predicting system contingencies, and remedial actions based on an offline pre-trained model. Furthermore, this supervised learning process is applied to the dataset of four case studies of meshed power systems: the IEEE 5-bus system (IEEE-5), the IEEE 30-bus system (IEEE-30), the IEEE 39-bus system (IEEE-39), and the IEEE 57-bus system (IEEE-57) to prove the efficacy of the proposed method.

42 ENGINEERING↗

DOE OSTI2024

Hamiltonian variational ansatz without barren plateaus

Variational quantum algorithms, which combine highly expressive parameterized quantum circuits (PQCs) and optimization techniques in machine learning, are one of the most promising applications of a near-term quantum computer. Despite their huge potential, the utility of variational quantum algorithms beyond tens of qubits is still questioned. One of the central problems is the trainability of PQCs. The cost function landscape of a randomly initialized PQC is often too flat, asking for an exponential amount of quantum resources to find a solution. This problem, dubbed barren plateaus , has gained lots of attention recently, but a general solution is still not available. In this paper, we solve this problem for the Hamiltonian variational ansatz (HVA), which is widely studied for solving quantum many-body problems. After showing that a circuit described by a time-evolution operator generated by a local Hamiltonian does not have exponentially small gradients, we derive parameter conditions for which the HVA is well approximated by such an operator. Based on this result, we propose an initialization scheme for the variational quantum algorithms and a parameter-constrained ansatz free from barren plateaus.

Physics↗

DOE OSTI2020

Experimental verification of a crystal plasticity-based simulation framework for predicting microstructure and geometric shape changes: Application to bending and Taylor impact testing of Zr

This paper is concerned with experimental verification of a recently developed multi-scale simulation framework for plastic deformation of metallic materials from quasi-static to impact deformation conditions. The framework is a visco-plastic self-consistent (VPSC) polycrystalline model embedded in an implicit finite element method (FE-VPSC) to provide a microstructure-sensitive constitutive response at each material point. Each material point of the FEM model is a polycrystalline aggregate with crystallographic deformation mechanisms operating at the single crystal scale with their evolving activity based on a dislocation density-based hardening law and texture. Four beams and three cylinders machined in different orientations from a textured plate of high-purity zirconium are tested quasi-statically in 4-point bending and at speeds of 100 m/s, 170 m/s and 243 m/s during Taylor impact tests, respectively. The variation in dimensional changes resulting from different sample orientations in the plate with respect to loading directions is measured for each sample. Moreover, texture and twinning characterization is performed using electron backscattered diffraction (EBSD). The deformation processes and underlying evolution of microstructure are successfully simulated using the FE-VPSC framework. In doing so, the model parameters are optimized and validated across a broad range of strain rates and temperatures. Simulation results in terms of geometrical changes and microstructural evolution are compared with the experimental measurements. The model predicts anisotropic material flow resulting from the hard-to-deform crystallographic directions, the development of gradients in texture and twinning through the geometries, tension–compression asymmetry, as well as the extent of plasticity under impact.

42 ENGINEERING↗

DOE OSTI2024

Advances in laser-based bremsstrahlung x-ray sources. I. Optimizing laser-accelerated electrons

In this work, we have performed a suite of kinetic simulations of relativistic laser–plasma interaction under settings relevant to recent and planned experiments on a variety of laser systems. The goal of the study is to illuminate the physics of laser–target coupling and to provide guidance for how to optimize these sources for applications. It is shown that the production of relativistic electrons is maximized when conditions of relativistic induced transparency (RIT) in dense plasmas can be achieved over a large interaction volume at the time of arrival of most intense part of the laser pulse. RIT is shown to enhance both the numbers of relativistic electrons and the energies of the electrons, leading to an increased x-ray dose. A variety of approaches to enhancing laser–target coupling are considered. These include optimizing the effects of low-density pre-plasma (arising either from finite laser pedestal or from the use of foam coatings) and of modifying the laser focusing geometry to reduce effects of filamentation and self-focusing. Evidence of a novel approach to achieving stable laser propagation over distances of tens of micrometers in a plasma gradient is also presented. These conditions coincide with plasma and laser conditions explored in recent experiments on the Omega EP laser system and compare favorably with an analytic criterion for stable laser propagation in relativistically underdense plasma obtained from a nonlinear Wentzel–Kramers–Brillouin analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

An Online Plug-and-Play Algorithm for Regularized Image Reconstruction

Plug-and-play priors (PnP) is a powerful framework for regularizing imaging inverse problems by using advanced denoisers within an iterative algorithm. Recent experimental evidence suggests that PnP algorithms achieve state-of-the-art performance in a range of imaging applications. Here, we introduce a new online PnP algorithm based on the proximal gradient method (PGM). The proposed algorithm uses only a subset of measurements at every iteration, which makes it scalable to very large datasets. We present a new theoretical convergence analysis, for both batch and online variants of PnP-PGM, for denoisers that do not necessarily correspond to proximal operators. We also present simulations illustrating the applicability of the algorithm to image reconstruction in diffraction tomography. Finally, the results in this paper have the potential to expand the applicability of the PnP framework to very large datasets.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

River Dissolved Oxygen Prediction Using Machine Learning Models and Wireless Sensor Measurements

Simultaneous flooding&heat and droughts&heat events can potentially destabilize hydro-meteorological conditions to deteriorate the water quality of Neches River. Machine learning (ML) models utilizing wireless sensor measurements have been applied to predict water quality and optimize various water management strategies. This study aims to develop ML models to predict dissolved oxygen (DO) prediction under various hydro-meteorological conditions and enhance water management decision-making. Wireless sensor measurements of DO, water temperature, sample depth, conductivity, turbidity, and pH, along with discharge from the United States Geological Survey stations, are collected for model inputs at the Pine Island Bayou C749 station (PIB-C749) and Neches River Saltwater Barrier (SWB). Multilayer perceptron neural networks, recurrent neural networks, long short-term memory (LSTM), and bidirectional LSTM (BiLSTM) with and without attention mechanism (AT) are tested to determine the best model, which is applied the rolling forecast method to predict 14-day DO. Traditional and recurrent transfer learning (TL and RTL) methods are adopted to overcome insufficient data at the SWB. The input feature importance analysis using the integrated gradients (IG) algorithm is applied to determine dominant inputs. The results show LSTM-based models are capable handling long sequential data. AT-BiLSTM and RTL-LSTM demonstrate the best performance at the PIB-C749 (RMSE=0.054) and the SWB (RMSE=0.028), respectively. TL and RTL methods significantly improve model performance at the SWB. DO, temperature, and pH show higher importance, consistent with hydrodynamics and water chemistry. Both best models are applied to predict 14-day DO and demonstrate reasonable performance for decision-making. Hydro-meteorological conditions of 2017 flood and 2012 drought events are simulated and reveal that possible hypoxia occurs after flooding due to increasing temperature and turbidity, and DO concentration decreases significantly under heat and drought conditions. In conclusion, LSTM-based models utilizing wireless sensor data can be a timely and effective approach to make appropriate decisions on water resource management.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Manifold Sampling for Optimizing Nonsmooth Nonconvex Compositions

Here we propose a manifold sampling algorithm for minimizing a nonsmooth composition $f= h\circ F$, where we assume $h$ is nonsmooth and may be inexpensively computed in closed form and $F$ is smooth but its Jacobian may not be available. We additionally assume that the composition $h\circ F$ defines a continuous selection. Manifold sampling algorithms can be classified as model-based derivative-free methods, in that models of $F$ are combined with particularly sampled information about $h$ to yield local models for use within a trust-region framework. We demonstrate that cluster points of the sequence of iterates generated by the manifold sampling algorithm are Clarke stationary. We consider the tractability of three particular subproblems generated by the manifold sampling algorithm and the extent to which inexact solutions to these subproblems may be tolerated. Numerical results demonstrate that manifold sampling as a derivative-free algorithm is competitive with state-of-the-art algorithms for nonsmooth optimization that utilize first-order information about $f$.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Medial axis and local thickness computation using the Fast Sweeping Method

This report describes an efficient and robust voxel-based methodology for computing the medial axis, local thickness, and distance-to-skeleton of arbitrary three-dimensional geometries. It is assumed that the object can be represented by an exact or approximate signed distance function on a discrete grid. The gradient of such function is used to formulate a hyperbolic partial differential equation (PDE) that models the collapse of the position vector in space. By exploiting the causality property of the PDE, the Fast Sweeping Method is able to obtain the solution in a finite number of sweeps independent of the mesh resolution. The intersection of characteristic lines leads to the formation of shocks and a discrete bisector function is used to identify the medial axis. The same PDE approach is used to compute the local thickness inside the object and obtain the distance-to-skeleton field. Multiple examples are given in two and three dimensions along with a resolution study. The methodology has optimal complexity and yields subsecond computational times for geometries with over a million zones on a single core. The methodology is also capable of parallelization across shared and distributed memory architectures.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1994

A new look at the simultaneous analysis and design of structures

The minimum weight optimization of structural systems, subject to strength and displacement constraints as well as size side constraints, was investigated by the Simultaneous ANalysis and Design (SAND) approach. As an optimizer, the code NPSOL was used which is based on a sequential quadratic programming (SQP) algorithm. The structures were modeled by the finite element method. The finite element related input to NPSOL was automatically generated from the input decks of such standard FEM/optimization codes as NASTRAN or ASTROS, with the stiffness matrices, at present, extracted from the FEM code ANALYZE. In order to avoid ill-conditioned matrices that can be encountered when the global stiffness equations are used as additional nonlinear equality constraints in the SAND approach (with the displacements as additional variables), the matrix displacement method was applied. In this approach, the element stiffness equations are used as constraints instead of the global stiffness equations, in conjunction with the nodal force equilibrium equations. This approach adds the element forces as variables to the system. Since, for complex structures and the associated large and very sparce matrices, the execution times of the optimization code became excessive due to the large number of required constraint gradient evaluations, the Kreisselmeier-Steinhauser function approach was used to decrease the computational effort by reducing the nonlinear equality constraint system to essentially a single combined constraint equation. As the linear equality and inequality constraints require much less computational effort to evaluate, they were kept in their previous form to limit the complexity of the KS function evaluation. To date, the standard three-bar, ten-bar, and 72-bar trusses have been tested. For the standard SAND approach, correct results were obtained for all three trusses although convergence became slower for the 72-bar truss. When the matrix displacement method was used, correct results were still obtained, but the execution times became excessive due to the large number of constraint gradient evaluations required. Using the KS function, the computational effort dropped, but the optimization seemed to become less robust. The investigation of this phenomenon is continuing. As an alternate approach, the code MINOS for the optimization of sparse matrices can be applied to the problem in lieu of the Kreisselmeier-Steinhauser function. This investigation is underway.

Striz, Alfred G.↗

NASA NTRS2021

Evaluation and Applications of Multi-Instrument Boundary-Layer Thermodynamic Retrievals

Recent reports have highlighted the need for improved observations of the boundary layer. In this study, we explore the combination of ground-based active and passive remote sensors deployed for thermodynamic profiling to analyze various boundary-layer observation strategies. Optimal-estimation retrievals of thermodynamic profiles from Atmospheric Emitted Radiance Interferometer (AERI) observed spectral radiance are compared with and without the addition of active sensor observations from a May–June 2017 observation period at the Atmospheric Radiation Measurement–Southern Great Plains Site. In all, three separate thermodynamic retrievals are considered here: retrievals including AERI data only, retrievals including AERI data and Vaisala water vapour differential absorption lidar data, and retrievals including AERI data and Raman lidar data. First, the three retrievals are compared to each other and to reference radiosonde data over the full observation period to get a bulk understanding of their differences and characterize the impact of clouds on these retrieved profiles. These analyses show that the most significant differences are in the water vapour field, where the active sensors are better able to represent the moisture gradient in the entrainment zone near boundary layer top. We also explore how differences in retrievals may impact results of applied analyses including land–atmosphere coupling, convection indices, and severe storm environmental characterization. Overall, adding active sensors to the optimal-estimation retrieval showed some added information, particularly in the moisture field. Given the costs of such platforms, the value of that added information must be weighed for the application at hand.

boundary-layer observation↗

DOE OSTI2021

Evaluation and Applications of Multi-Instrument Boundary-Layer Thermodynamic Retrievals

Recent reports have highlighted the need for improved observations of the atmosphere boundary layer. In this study, we explore the combination of ground-based active and passive remote sensors deployed for thermodynamic profiling to analyze various boundary-layer observation strategies. Optimal-estimation retrievals of thermodynamic profiles from Atmospheric Emitted Radiance Interferometer (AERI) observed spectral radiance are compared with and without the addition of active sensor observations from a May–June 2017 observation period at the Atmospheric Radiation Measurement Southern Great Plains site. In all, three separate thermodynamic retrievals are considered here: retrievals including AERI data only, retrievals including AERI data and Vaisala water vapour differential-absorption lidar data, and retrievals including AERI data and Raman lidar data. First, the three retrievals are compared to each other and to reference radiosonde data over the full observation period to obtain a bulk understanding of their differences and characterize the impact of clouds on these retrieved profiles. These analyses show that the most significant differences are in the water vapour field, where the active sensors are better able to represent the moisture gradient in the entrainment zone near the boundary-layer top. Furthermore, we also explore how differences in retrievals may affect results of applied analyses including land–atmosphere coupling, convection indices, and severe storm environmental characterization. Overall, adding active sensors to the optimal-estimation retrieval shows some added information, particularly in the moisture field. Given the costs of such platforms, the value of that added information must be weighed for the application at hand.

54 ENVIRONMENTAL SCIENCES↗