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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Stochastic Vector Techniques in Ground-State Electronic Structure

Herein we review a suite of stochastic vector computational approaches for studying the electronic structure of extended condensed matter systems. These techniques help reduce algorithmic complexity, facilitate efficient parallelization, simplify computational tasks, accelerate calculations, and diminish memory requirements. While their scope is vast, we limit our study to ground-state and finite temperature density functional theory (DFT) and second-order many-body perturbation theory. More advanced topics, such as quasiparticle (charge) and optical (neutral) excitations and higher-order processes, are covered elsewhere. We start by explaining how to use stochastic vectors in computations, characterizing the associated statistical errors. Next, we show how to estimate the electron density in DFT and discuss effective techniques to reduce statistical errors. Finally, we review the use of stochastic vectors for calculating correlation energies within the second-order Møller-Plesset perturbation theory and its finite temperature variational form. Example calculation results are presented and used to demonstrate the efficacy of the methods.

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

Integrated path planning and control through proximal policy optimization for a marine current turbine

This paper presents an integrated path planning and tracking control framework for a marine current turbine (MCT), where the MCT is treated as an energy-harvesting autonomous underwater vehicle (AUV). Considering the ocean (space of action) is continuous, the proposed framework employs two modules to address path planning and path tracking enabled by the proximal policy optimization (PPO) algorithm, which is a policy gradient deep reinforcement learning (RL) method. Further, to enable fully autonomous operation in a stochastic oceanic environment, the proposed path planning seeks a primary objective of maximizing the harvested energy; then, the path tracking module is designed to minimize the tracking error and avoid collisions with static and dynamic obstacles. Using field-collected acoustic Doppler current profiler (ADCP) data, the performance of the proposed framework is evaluated. Comparative studies with baseline algorithms in three different scenarios of path planning, path tracking without an obstacle, and path tracking with collision avoidance verify the effectiveness of our proposed approach.

16 TIDAL AND WAVE POWER↗
NASA NTRS1986

Dynamic remapping of parallel computations with varying resource demands

A large class of computational problems is characterized by frequent synchronization, and computational requirements which change as a function of time. When such a problem must be solved on a message passing multiprocessor machine, the combination of these characteristics lead to system performance which decreases in time. Performance can be improved with periodic redistribution of computational load; however, redistribution can exact a sometimes large delay cost. We study the issue of deciding when to invoke a global load remapping mechanism. Such a decision policy must effectively weigh the costs of remapping against the performance benefits. We treat this problem by constructing two analytic models which exhibit stochastically decreasing performance. One model is quite tractable; we are able to describe the optimal remapping algorithm, and the optimal decision policy governing when to invoke that algorithm. However, computational complexity prohibits the use of the optimal remapping decision policy. We then study the performance of a general remapping policy on both analytic models. This policy attempts to minimize a statistic W(n) which measures the system degradation (including the cost of remapping) per computation step over a period of n steps. We show that as a function of time, the expected value of W(n) has at most one minimum, and that when this minimum exists it defines the optimal fixed-interval remapping policy. Our decision policy appeals to this result by remapping when it estimates that W(n) is minimized. Our performance data suggests that this policy effectively finds the natural frequency of remapping. We also use the analytic models to express the relationship between performance and remapping cost, number of processors, and the computation's stochastic activity.

Nicol, D. M.↗
DOE OSTI2019

Analysis of Differential Financial Impacts of LWR Load-Following Operations. Revision 1

This document reports the application of HERON (Holistic Energy Resource Optimization Network), a newly-developed RAVEN (Risk Analysis Virtual ENvironment) plugin for grid and capacity optimization, to a case study conducted in collaboration with Arizona Public Service (APS). The study is a work in progress; this report presents a description of current models and corresponding results for a particular consideration. APS is anticipating several operational challenges. The first is rapid growth of Variable Renewable Energy (VRE) sources such as wind and solar power providing energy to the grid in the APS service region. This creates challenges for baseload operation of the Palo Verde Generating Station (PVGS), a nuclear power plant co-owned and operated by APS. The second challenge for APS is a change in the cooling water acquisition contract with the Sub Regional Operating Group (SROG). The existing contract is expiring soon, and a renewal is only available for a significantly higher price of water. These two challenges represent a difficulty in maintaining profitability for PVGS as local area demand is highly fluctuant and water prices may increase. Furthermore, excess production at PVGS is currently traded on the Palo Verde energy Hub (PVH), which occasionally offers very low or negative locational marginal prices (LMP) for electricity. This analysis considers the potential benefits of occasional curtailment of PVGS as a method to mitigate unprofitable production hours. Similar to load following, optional daily curtailment would allow APS to elect curtailment of PVGS as low as 70% of its nominal operating level between the hours of 08:00 and 16:00 provided local area demand is met and it is profitable to do so. This document reports a stochastic differential analysis of the Net Present Value (NPV) of PVGS as operated by NPS as a result of optional curtailment operation. To model this differential case, HERON has been designed from previous efforts in this study as a generic tool to accelerate the design and execution of RAVEN workflows for technoeconomic analysis of grid energy systems. HERON leverages both RAVEN and the CashFlow plugin for RAVEN to stochastically explore or optimize a response surface with energy grid system production capacities as inputs and mean NPV as a goal function. HERON performs these evaluations by stochastically sampling market, weather, and demand events using RAVEN’s ARMA reduced-order model capability to generate boundary conditions for dispatch optimization. The algorithm performs the dispatch optimization for each of the synthetic scenarios. For this case, HERON designs workflows to simulate behavior of the PVH, wind, solar, and APS local area demand, and use these synthetic scenarios to stochastically evaluate the differential benefit of optional curtailment for each scenario. While this study finds optional curtailment to be a potential source of revenue, the magnitude of the differential NPV is sufficiently small that it is unlikely a priority for increasing the profitability of PVGS. Further, the differential NPV shrinks throughout the simulated years, suggesting the long-term benefit of such operation given current assumptions is negligible.

14 SOLAR ENERGY↗
NASA NTRS2012

Using Markov Models of Fault Growth Physics and Environmental Stresses to Optimize Control Actions

A generalized Markov chain representation of fault dynamics is presented for the case that available modeling of fault growth physics and future environmental stresses can be represented by two independent stochastic process models. A contrived but representatively challenging example will be presented and analyzed, in which uncertainty in the modeling of fault growth physics is represented by a uniformly distributed dice throwing process, and a discrete random walk is used to represent uncertain modeling of future exogenous loading demands to be placed on the system. A finite horizon dynamic programming algorithm is used to solve for an optimal control policy over a finite time window for the case that stochastic models representing physics of failure and future environmental stresses are known, and the states of both stochastic processes are observable by implemented control routines. The fundamental limitations of optimization performed in the presence of uncertain modeling information are examined by comparing the outcomes obtained from simulations of an optimizing control policy with the outcomes that would be achievable if all modeling uncertainties were removed from the system.

Bole, Brian↗
DOE OSTI2024

A New Simple-to-Configure Self-Perturbing Multivariable Extremum-Seeking Controller

This paper presents a new stochastic relay-based extremum-seeking controller (ESC) for multi-input-single-output (MISO) systems. The algorithm was developed with the goal of simplifying configuration to enable easier deployment to real-world problems. A solution is developed first for a static map and then adapted for a general class of dynamic systems. The number of configurable parameters is one per input channel for the static case and only one additional parameter is needed for the dynamic version. The problem of gradient identifiability is solved via the use of stochastic relay gains and a simple stability proof for the static case is presented. Simulation tests demonstrate the performance of the strategy for optimizing both static and dynamic systems.

Salsbury, Timothy [BATTELLE (PACIFIC NW LAB)]↗
DOE OSTI2018

Chance-Constrained Optimization for Critical Infrastructure Protection

Stochastic optimization deals with making highly reliable decisions under uncertainty. Chance constraints are a crucial tool of stochastic optimization to develop mathematical optimization models; they form the backbone of many important national security data science applications. These include critical infrastructure resiliency, cyber security, power system operations, and disaster relief management. However, existing algorithms to solve chance-constrained optimization models are severely limited by problem size and structure. In this investigative study, we (i) develop new algorithms to approximate chance-constrained optimization models, (ii) demonstrate the application of chance-constraints to a national security problem, and (iii) investigate related stochastic optimization problems. We believe our work will pave way for new research is stochastic optimization as well as secure national infrastructures against unforeseen attacks.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS2015

A Stochastic Scheduler for Integrated Arrival, Departure and Surface Operations in Los Angeles

In terminal airspace, integrating arrivals, departures, and surface operations with competing resources provides the potential of improving operational efficiency by removing barriers between different operations. This work develops a centralized stochastic scheduler for operations in a terminal area including airborne and surface operations using Non-dominated sorting genetic algorithm and Monte Carlo simulations. The scheduler handles completing resources between different flows, such as runway allocations, runway crossing, departure fixes, and other interaction way points between arrivals and departures. Meanwhile, the scheduler also takes time-varied uncertainties into account when optimizing schedules. The scheduler is run sequentially to identify the best and robust schedule for the next planning window. Resulting schedules decide the routes, speed or delays, and runway assignments with separation constraints at mergingdiverging waypoints in the air and crossing and separations on runways. The Los Angels terminal area was used as an example. The implementation of this stochastic scheduler for integrated arrival, departure and surface operations is completed. And several preliminary runs are finished for over 1,200 flights in LAX in a typical day. Sensitivity studies on various planning window sizes are presented, which shows that trade-off exits between planning window size and achievable minimum delay. Preliminary results on runway usage are also presented in this abstract. Because arrivals on the outer runways have to be followed by crossings on the inner runways, algorithmic runway allocation prefers inner runways for arrivals and outer runways for departures. More results will be presented in the final paper. And current terminal arrival and departure procedures based on first-come-first-serve procedure will also be set up and used as a baseline for comparison.

integrated scheduler↗
NASA NTRS2016

Hybrid Differential Dynamic Programming with Stochastic Search

Differential dynamic programming (DDP) has been demonstrated as a viable approach to low-thrust trajectory optimization, namely with the recent success of NASAs Dawn mission. The Dawn trajectory was designed with the DDP-based Static Dynamic Optimal Control algorithm used in the Mystic software. Another recently developed method, Hybrid Differential Dynamic Programming (HDDP) is a variant of the standard DDP formulation that leverages both first-order and second-order state transition matrices in addition to nonlinear programming (NLP) techniques. Areas of improvement over standard DDP include constraint handling, convergence properties, continuous dynamics, and multi-phase capability. DDP is a gradient based method and will converge to a solution nearby an initial guess. In this study, monotonic basin hopping (MBH) is employed as a stochastic search method to overcome this limitation, by augmenting the HDDP algorithm for a wider search of the solution space.

Aziz, Jonathan↗
NASA NTRS2016

Hybrid Differential Dynamic Programming with Stochastic Search

Differential dynamic programming (DDP) has been demonstrated as a viable approach to low-thrust trajectory optimization, namely with the recent success of NASA's Dawn mission. The Dawn trajectory was designed with the DDP-based Static/Dynamic Optimal Control algorithm used in the Mystic software.1 Another recently developed method, Hybrid Differential Dynamic Programming (HDDP),2, 3 is a variant of the standard DDP formulation that leverages both first-order and second-order state transition matrices in addition to nonlinear programming (NLP) techniques. Areas of improvement over standard DDP include constraint handling, convergence properties, continuous dynamics, and multi-phase capability. DDP is a gradient based method and will converge to a solution nearby an initial guess. In this study, monotonic basin hopping (MBH) is employed as a stochastic search method to overcome this limitation, by augmenting the HDDP algorithm for a wider search of the solution space.

Aziz, Jonathan↗
NASA NTRS2013

Issues and Strategies in Solving Multidisciplinary Optimization Problems

Optimization research at NASA Glenn Research Center has addressed the design of structures, aircraft and airbreathing propulsion engines. The accumulated multidisciplinary design activity is collected under a testbed entitled COMETBOARDS. Several issues were encountered during the solution of the problems. Four issues and the strategies adapted for their resolution are discussed. This is followed by a discussion on analytical methods that is limited to structural design application. An optimization process can lead to an inefficient local solution. This deficiency was encountered during design of an engine component. The limitation was overcome through an augmentation of animation into optimization. Optimum solutions obtained were infeasible for aircraft and airbreathing propulsion engine problems. Alleviation of this deficiency required a cascading of multiple algorithms. Profile optimization of a beam produced an irregular shape. Engineering intuition restored the regular shape for the beam. The solution obtained for a cylindrical shell by a subproblem strategy converged to a design that can be difficult to manufacture. Resolution of this issue remains a challenge. The issues and resolutions are illustrated through a set of problems: Design of an engine component, Synthesis of a subsonic aircraft, Operation optimization of a supersonic engine, Design of a wave-rotor-topping device, Profile optimization of a cantilever beam, and Design of a cylindrical shell. This chapter provides a cursory account of the issues. Cited references provide detailed discussion on the topics. Design of a structure can also be generated by traditional method and the stochastic design concept. Merits and limitations of the three methods (traditional method, optimization method and stochastic concept) are illustrated. In the traditional method, the constraints are manipulated to obtain the design and weight is back calculated. In design optimization, the weight of a structure becomes the merit function with constraints imposed on failure modes and an optimization algorithm is used to generate the solution. Stochastic design concept accounts for uncertainties in loads, material properties, and other parameters and solution is obtained by solving a design optimization problem for a specified reliability. Acceptable solutions can be produced by all the three methods. The variation in the weight calculated by the methods was found to be modest. Some variation was noticed in designs calculated by the methods. The variation may be attributed to structural indeterminacy. It is prudent to develop design by all three methods prior to its fabrication. The traditional design method can be improved when the simplified sensitivities of the behavior constraint is used. Such sensitivity can reduce design calculations and may have a potential to unify the traditional and optimization methods. Weight versus reliability traced out an inverted-S-shaped graph. The center of the graph corresponded to mean valued design. A heavy design with weight approaching infinity could be produced for a near-zero rate of failure. Weight can be reduced to a small value for a most failure-prone design. Probabilistic modeling of load and material properties remained a challenge.

Patnaik, Surya↗
DOE OSTI2019

Combining Iteration-Free Polarization with Large Time Step Stochastic-Isokinetic Integration

In order to accelerate molecular dynamics simulations using polarizable force fields, we combine a new extended Lagrangian approach that eliminates the self-consistent field step (iEL/0-SCF) with a stochastic integration scheme that allows for a long time step using a multiple time scale algorithm (SIN(R)). We consider different algorithms for the combined scheme that places different components of the nonbonded forces into different time scales, as well as splitting individual nonbonded forces across time scales, to demonstrate that the combined method works well for bulk water as well as for a concentrated salt solution, aqueous peptide, and solvated protein. Depending on system and desired accuracy, the iEL/0-SCF and SIN(R) combination yields lower bound computational speed-ups of ~6–8 relative to a molecular dynamics Verlet integration using a standard SCF solver implemented in the reference program TINKER 8.1. Finally, the combined approach embodies a significant advance for equilibrium simulations in the canonical ensemble of many-body potential energy surfaces for condensed phase systems with speed-ups that exceed what is possible by either method alone.

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

Low-pass spectral analysis of time-resolved serial femtosecond crystallography data

Low-pass spectral analysis (LPSA) is a recently developed dynamics retrieval algorithm showing excellent retrieval properties when applied to model data affected by extreme incompleteness and stochastic weighting. In this work, we apply LPSA to an experimental time-resolved serial femtosecond crystallography (TR-SFX) dataset from the membrane protein bacteriorhodopsin (bR) and analyze its parametric sensitivity. While most dynamical modes are contaminated by nonphysical high-frequency features, we identify two dominant modes, which are little affected by spurious frequencies. The dynamics retrieved using these modes shows an isomerization signal compatible with previous findings. We employ synthetic data with increasing timing uncertainty, increasing incompleteness level, pixel-dependent incompleteness, and photon counting errors to investigate the root cause of the high-frequency contamination of our TR-SFX modes. By testing a range of methods, we show that timing errors comparable to the dynamical periods to be retrieved produce a smearing of dynamical features, hampering dynamics retrieval, but with no introduction of spurious components in the solution, when convergence criteria are met. Using model data, we are able to attribute the high-frequency contamination of low-order dynamical modes to the high levels of noise present in the data. Finally, we propose a method to handle missing observations that produces a substantial dynamics retrieval improvement from synthetic data with a significant static component. Reprocessing of the bR TR-SFX data using the improved method yields dynamical movies with strong isomerization signals compatible with previous findings.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

ProgressiveHedging.jl

Implementation of the Progressive Hedging algorithm written in Julia utilizing JuMP. This is used to solve multistage optimization problems (e.g. Stochastic programs or capacity expansion models). The user uses the StructJuMP extension of JuMP to create the model and build up the scenario tree.

Sigler, Devon↗
NASA NTRS1975

The effects of stability augmentation on the gust response of a STOL aircraft during a curved manual approach

The task of investigating the effect of SAS was formulated as two optimal control problems for stochastic systems: (1) to compute SAS gains with a rate model in the performance index algorithm; and (2) to calculate the pilot gains and system gust response using an optimal pilot model. Both problems were solved to yield reasonable low gains for the pilot and SAS, and the lateral directional mode poles and the longitudinal short period poles could be placed accurately by the model matching algorithm. Of the longitudinal (SAS) poles achieved, the vertical rms path error was least for the unaugmented poles. The lateral rms path error was an order of magnitude larger than the vertical error and showed a plus or minus 50 percent variation with SAS. It increased with dutch roll frequency and damping, and it decreased most significantly with increased roll stability. The variation in lateral error with bank angle for curved flight was also a significant function of the augmented poles.

Porter, M. B., Jr.↗
NASA NTRS1988

A forward method for optimal stochastic nonlinear and adaptive control

A computational approach is taken to solve the optimal nonlinear stochastic control problem. The approach is to systematically solve the stochastic dynamic programming equations forward in time, using a nested stochastic approximation technique. Although computationally intensive, this provides a straightforward numerical solution for this class of problems and provides an alternative to the usual dimensionality problem associated with solving the dynamic programming equations backward in time. It is shown that the cost degrades monotonically as the complexity of the algorithm is reduced. This provides a strategy for suboptimal control with clear performance/computation tradeoffs. A numerical study focusing on a generic optimal stochastic adaptive control example is included to demonstrate the feasibility of the method.

Bayard, David S.↗
NASA NTRS2017

Planetary Crater Detection and Registration Using Marked Point Processes, Graph Cut Algorithms, and Wavelet Transforms

This paper addresses the problem of semi-automatic image registration on planetary images. A joint feature-based and area-based approach is proposed. Firstly, the most relevant craters are extracted from the two images to register, and then, registration is performed in two steps. The first step matches the craters extracted from the images based on a generalized Hausdorff distance. In the second step, the mutual information between the two images is maximized to achieve high registration accuracy. Craters are detected by a stochastic-geometry approach based on a marked point process model and of a multiple-birth-and-cut energy minimization algorithm. The experimental validation is carried out with 13 images for the crater extraction stage, and with 20 semi-synthetic pairs of images with ground truth and several images extracted from actual multi-temporal lunar scenes for the registration phase.

Image Processing; Pattern Recognition↗
DOE OSTI2023

Stochastic optimization of a uranium oxide reaction mechanism using plasma flow reactor measurements

Abstract In this work, a coupled Monte Carlo Genetic Algorithm (MCGA) approach is used to optimize a gas phase uranium oxide reaction mechanism based on plasma flow reactor (PFR) measurements. The PFR produces a steady Ar plasma containing U, O, H, and N species with high temperature regions (3000–5000 K) relevant to observing UO formation via optical emission spectroscopy. A global kinetic treatment is used to model the chemical evolution in the PFR and to produce synthetic emission signals for direct comparison with experiments. The parameter space of a uranium oxide reaction mechanism is then explored via Monte Carlo sampling using objective functions to quantify the model-experiment agreement. The Monte Carlo results are subsequently refined using a genetic algorithm to obtain an experimentally corroborated set of reaction pathways and rate coefficients. Out of 12 reaction channels targeted for optimization, four channels are found to be well constrained across all optimization runs while another three channels are constrained in select cases. The optimized channels highlight the importance of the OH radical in oxidizing uranium in the PFR. This study comprises a first step toward producing a comprehensive experimentally validated reaction mechanism for gas phase uranium molecular species formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗