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Results for “dynamic 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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Investigation of the Effect of Framework Flexibility on Adsorption in SIFSIX-3-Cu using a Machine-Learned Force Field

Metal-organic frameworks (MOFs) are a promising class of adsorbents. The performance of MOF sorbents relies on high selectivity and low regeneration energy. This work focuses on the use of machine learned force fields (MLFFs) to model adsorption in a flexible MOF, SIFSIX-3-Cu. A DeePMD-based MLFF was trained to reproduce DFT (PBE+D3) energies, forces, and stresses, using an iterative sampling scheme combining sampling based on molecular dynamics, Monte Carlo, and geometry optimization to capture both attractive and repulsive regions of the potential energy surface. Flexibility of the MOF was explicitly included in this model. Hybrid Monte Carlo/molecular dynamics (MC/MD) simulations using the MLFF predicted adsorption isotherms in good agreement with experimental data for a range of pressures (40 Pa – 104 Pa) in contrast to rigid models, which overpredict CO2 adsorption at low pressures. The improvement was the result of a description of the variability of fluorine-fluorine diagonal distances at adsorption sites. This detailed description of flexibility afforded by the MLFF resulted in more accurate predictions adsorption isotherms when compared to the experimentally measured values. These results underscore the importance of including framework flexibility when modeling adsorption phenomena in MOFs, particularly for low pressure applications and provide a robust procedure for training MLFF models for MOFs.

Atomistic Simulation↗
DOE OSTI2024

Explosively driven Richtmyer–Meshkov instability jet suppression and enhancement via coupling machine learning and additive manufacturing

The ability to control the behavior of fluid instabilities at material interfaces, such as the shock-driven Richtmyer–Meshkov instability, is a grand technological challenge with a broad number of applications ranging from inertial confinement fusion experiments to explosively driven shaped charges. In this work, we use a linear-geometry shaped charge as a means of studying methods for controlling material jetting that results from the Richtmyer–Meshkov instability. A shaped charge produces a high-velocity jet by focusing the energy from the detonation of high explosives. The interaction of the resulting detonation wave with a hollowed cavity lined with a thin metal layer produces the unstable jetting effect. By modifying the characteristics of the detonation wave prior to striking the lined cavity, the kinetic energy of the jet can be enhanced or reduced. Modifying the geometry of the liner material can also be used to alter jetting properties. We apply optimization methods to investigate several design parameterizations for both enhancing or suppressing the shaped-charge jet. This is accomplished using 2D and 3D hydrodynamic simulations to investigate the design space that we consider. We also apply new additive manufacturing methods for producing the shaped-charge assemblies, which allow for the experimental testing of complicated design geometries obtained through computational optimization. We present a direct comparison of our optimized designs with experimental results carried out at the High Explosives Application Facility at Lawrence Livermore National Laboratory.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Machine Learning Approach for Spatiotemporal Multivariate Optimization of Environmental Monitoring Sensor Locations

Abstract Long-term environmental monitoring is critical for managing the soil and groundwater at contaminated sites. Recent improvements in state-of-the-art sensor technology, communication networks, and artificial intelligence have created opportunities to modernize this monitoring activity for automated, fast, robust, and predictive monitoring. In such modernization, it is required that sensor locations be optimized to capture the spatiotemporal dynamics of all monitoring variables as well as to make it cost-effective. The legacy monitoring datasets of the target area are important to perform this optimization. In this study, we have developed a machine-learning approach to optimize sensor locations for soil and groundwater monitoring based on ensemble supervised learning and majority voting. For spatial optimization, Gaussian process regression (GPR) is used for spatial interpolation, while the majority voting is applied to accommodate the multivariate temporal dimension. Results show that the algorithms significantly outperform the random selection of the sensor locations for predictive spatiotemporal interpolation. While the method has been applied to a four-dimensional dataset (with two-dimensional space, time, and multiple contaminants), we anticipate that it can be generalizable to higher-dimensional datasets for environmental monitoring sensor location optimization.

Siddiquee, Masudur R.↗
NASA NTRS1989

The insertion of human dynamics models in the flight control loops of V/STOL research aircraft. Appendix 2: The optimal control model of a pilot in V/STOL aircraft control loops

An overview is presented of research work focussed on the design and insertion of classical models of human pilot dynamics within the flight control loops of V/STOL aircraft. The pilots were designed and configured for use in integrated control system research and design. The models of human behavior that were considered are: McRuer-Krendel (a single variable transfer function model); and Optimal Control Model (a multi-variable approach based on optimal control and stochastic estimation theory). These models attempt to predict human control response characteristics when confronted with compensatory tracking and state regulation tasks. An overview, mathematical description, and discussion of predictive limitations of the pilot models is presented. Design strategies and closed loop insertion configurations are introduced and considered for various flight control scenarios. Models of aircraft dynamics (both transfer function and state space based) are developed and discussed for their use in pilot design and application. Pilot design and insertion are illustrated for various flight control objectives. Results of pilot insertion within the control loops of two V/STOL research aricraft (Sikorski Black Hawk UH-60A, McDonnell Douglas Harrier II AV-8B) are presented and compared against actual pilot flight data. Conclusions are reached on the ability of the pilot models to adequately predict human behavior when confronted with similar control objectives.

Zipf, Mark E.↗
DOE OSTI2024

E-PVT: enhanced position-velocity-time scheduler for computer-controlled optical finishing with comprehensive considerations of dynamics constraints, continuity and efficiency

Deterministic computer-controlled optical finishing is an essential approach for achieving high-quality optical surfaces. Its determinism and convergence rely heavily on precise and smooth motion control to guide the machine tool over an optical surface to correct residual errors. One widely supported and smooth motion control model is position-velocity-time (PVT), which employs piecewise cubic polynomials to describe positions. Our prior research introduced a PVT-based velocity scheduling method, demonstrating sub-nanometer level convergence in ion beam figuring (IBF) processes. However, three challenges remained. Firstly, this method relies on quadratic programming, resulting in computational intensiveness for dense tool paths. Secondly, the dynamics constraints and velocity and acceleration continuities are not comprehensively considered, limiting the full potential of PVT-based control. Thirdly, no compensation mechanism existed when dynamics constraints are exceeded. In this study, in response to these challenges, we proposed the Enhanced PVT (E-PVT) method, reducing the time complexity from O ( n 3 ) to O ( n ) while fully addressing dynamics constraints and continuities. A novel compensation method utilizing particle swarm optimization was proposed to address situations where dynamics constraints might be exceeded while maintaining the overall processing efficiency. Validation through simulation and experimentation confirmed the improved performance of E-PVT.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Systematic optimization of a detailed kinetic model using a methane ignition example

An approach to the systematic optimization of a large-scale dynamic model is proposed which consists in parameterization of simulation results as response surfaces. The optimization procedure is carried out using a second-order orthogonal design. The approach proposed here is demonstrated by an example involving the shock-initiated ignition of methane.

Frenklach, M.↗
NASA NTRS2010

Configuring Airspace Sectors with Approximate Dynamic Programming

In response to changing traffic and staffing conditions, supervisors dynamically configure airspace sectors by assigning them to control positions. A finite horizon airspace sector configuration problem models this supervisor decision. The problem is to select an airspace configuration at each time step while considering a workload cost, a reconfiguration cost, and a constraint on the number of control positions at each time step. Three algorithms for this problem are proposed and evaluated: a myopic heuristic, an exact dynamic programming algorithm, and a rollouts approximate dynamic programming algorithm. On problem instances from current operations with only dozens of possible configurations, an exact dynamic programming solution gives the optimal cost value. The rollouts algorithm achieves costs within 2% of optimal for these instances, on average. For larger problem instances that are representative of future operations and have thousands of possible configurations, excessive computation time prohibits the use of exact dynamic programming. On such problem instances, the rollouts algorithm reduces the cost achieved by the heuristic by more than 15% on average with an acceptable computation time.

Bloem, Michael↗
DOE OSTI2024

Modeling and Optimization of a Nuclear Integrated Energy System for the Remote Microgrid on El Hierro

Nuclear microreactors are a potential technology to provide heat and electricity for remote microgrids. There is potential for the microgrid on the island of El Hierro to use a microreactor, within an integrated energy system (IES), to generate electricity and provide desalinated water. This work proposes a workflow for optimizing and analyzing IESs for microgrids. In this study, an IES incorporating a microreactor, thermal energy storage (TES) system, combined heat and power plant, and a thermal desalination plant was designed, optimized, and analyzed using Idaho National Laboratory’s Framework for Optimization of Resources and Economics (FORCE) toolset. The optimization tool, Holistic Energy Resource Optimization Network (HERON), was used to determine the optimal capacity sizes and dispatch for the reactor and thermal energy storage systems to meet demand. The optimized reactor and TES sizes were found to be 11.61 MWth and 58.47 MWhth, respectively, when optimizing the IES to replace 95% of the island’s existing diesel generation needs. A dynamic model of the system was created in the Modelica language, using models from the HYBRID repository, to analyze and verify the dispatch from the optimizer. The dynamic model was able to meet the ramp rates while maintaining reactor power with minimal control adjustments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1987

Design of a force reflecting hand controller for space telemanipulation studies

The potential importance of space telemanipulator systems is reviewed, along with past studies of master-slave manipulation using a generalized force reflecting master arm. Problems concerning their dynamic interaction with the human operator have been revealed in the use of these systems, with marked differences between 1-g and simulated weightless conditions. A study is outlined to investigate the optimization of the man machine dynamics of master-slave manipulation, and a set of specifications is determined for the apparatus necessary to perform this investigation. This apparatus is a one degree of freedom force reflecting hand controller with closed loop servo control which enables it to simulate arbitrary dynamic properties to high bandwidth. Design of the complete system and its performance is discussed. Finally, the experimental adjustment of the hand controller dynamics for smooth manual control performance with good operator force perception is described, resulting in low inertia, viscously damped hand controller dynamics.

Paines, J. D. B.↗
DOE OSTI2025

Optimizers for stabilizing likelihood-free inference

A growing number of applications in particle physics and beyond use neural networks as unbinned likelihood ratio estimators applied to real or simulated data. Precision requirements on the inference tasks demand a high-level of stability from these networks, which are affected by the stochastic nature of training. We show how physics concepts can be used to stabilize network training through a physics-inspired optimizer. In particular, the energy conserving descent (ECD) optimization framework uses classical Hamiltonian dynamics on the space of network parameters to reduce the dependence on the initial conditions while also stabilizing the result near the minimum of the loss function. We develop a version of this optimizer known as , which has few free hyperparameters with limited ranges guided by physical reasoning. We apply to representative likelihood-ratio estimation tasks in particle physics and find on average that it out-performs the widely used Adam optimizer. We expect that ECD will be a useful tool for wide array of data-limited problems, where it is computationally expensive to exhaustively optimize hyperparameters and mitigate fluctuations with ensembling.

Monte Carlo methods↗
NASA NTRS2015

A Versatile Nonlinear Method for Predictive Modeling

As computational fluid dynamics techniques and tools become widely accepted for realworld practice today, it is intriguing to ask: what areas can it be utilized to its potential in the future. Some promising areas include design optimization and exploration of fluid dynamics phenomena (the concept of numerical wind tunnel), in which both have the common feature where some parameters are varied repeatedly and the computation can be costly. We are especially interested in the need for an accurate and efficient approach for handling these applications: (1) capturing complex nonlinear dynamics inherent in a system under consideration and (2) versatility (robustness) to encompass a range of parametric variations. In our previous paper, we proposed to use first-order Taylor expansion collected at numerous sampling points along a trajectory and assembled together via nonlinear weighting functions. The validity and performance of this approach was demonstrated for a number of problems with a vastly different input functions. In this study, we are especially interested in enhancing the method's accuracy; we extend it to include the second-orer Taylor expansion, which however requires a complicated evaluation of Hessian matrices for a system of equations, like in fluid dynamics. We propose a method to avoid these Hessian matrices, while maintaining the accuracy. Results based on the method are presented to confirm its validity.

nonlinear modeling↗
NASA NTRS1989

Dynamic loading of spur gears with linear or parabolic tooth profile modification

A computer simulation was conducted to investigate the effects of both linear and parabolic tooth profile modification on the dynamic response of low-contact-ratio spur gears. The effect of the total amount of modification and the length of the modification zone were studied at various loads and speeds to find the optimal profile modification for minimal dynamic loading. Design charts consisting of normalized maximum dynamic load curves were generated for gear systems operated at various loads and with different tooth profile modification. An optimum profile modification can be determined from these design charts to minimize the dynamic loads of spur gear systems.

Lin, Hsiang Hsi↗
NASA NTRS1989

Dynamic loading of spur gears with linear or parabolic tooth profile modifications

A computer simulation was conducted to investigate the effects of both linear and parabolic tooth profile modification on the dynamic response of low-contact-ratio spur gears. The effect of the total amount of modification and the length of the modification zone were studied at various loads and speeds to find the optimal profile modification for minimal dynamic loading. Design charts consisting of normalized maximum dynamic load curves were generated for gear systems operated at various loads and with different tooth profile modification. An optimum profile modification can be determined from these design charts to minimize the dynamic loads of spur gear systems.

Lin, H. H.↗
NASA NTRS1995

Integrated aerodynamic/dynamic/structural optimization of helicopter rotor blades using multilevel decomposition

This paper describes an integrated aerodynamic/dynamic/structural (IADS) optimization procedure for helicopter rotor blades. The procedure combines performance, dynamics, and structural analyses with a general-purpose optimizer using multilevel decomposition techniques. At the upper level, the structure is defined in terms of global quantities (stiffness, mass, and average strains). At the lower level, the structure is defined in terms of local quantities (detailed dimensions of the blade structure and stresses). The IADS procedure provides an optimization technique that is compatible with industrial design practices in which the aerodynamic and dynamic designs are performed at a global level and the structural design is carried out at a detailed level with considerable dialog and compromise among the aerodynamic, dynamic, and structural groups. The IADS procedure is demonstrated for several examples.

Walsh, Joanne L.↗
DOE OSTI2026

Interpretable and flexible non-intrusive reduced-order models using reproducing kernel Hilbert spaces

This paper develops an interpretable, non-intrusive reduced-order modeling technique using regularized kernel interpolation. Existing non-intrusive approaches approximate the dynamics of a reduced-order model (ROM) by solving a data-driven least-squares regression problem for low-dimensional matrix operators. Our approach instead leverages regularized kernel interpolation, which yields an optimal approximation of the ROM dynamics from a user-defined reproducing kernel Hilbert space. We show that our kernel-based approach can produce interpretable ROMs whose structure mirrors full-order model structure by embedding judiciously chosen feature maps into the kernel. The approach is flexible and allows a combination of informed structure through feature maps and closure terms via more general nonlinear terms in the kernel. We also derive a computable a posteriori error bound that combines standard error estimates for intrusive projection-based ROMs and kernel interpolants. In conclusion, the approach is demonstrated in several numerical experiments that include comparisons to operator inference using both proper orthogonal decomposition and quadratic manifold dimension reduction.

Data-driven model reduction↗
NASA NTRS1991

Supercomputer optimizations for stochastic optimal control applications

Supercomputer optimizations for a computational method of solving stochastic, multibody, dynamic programming problems are presented. The computational method is valid for a general class of optimal control problems that are nonlinear, multibody dynamical systems, perturbed by general Markov noise in continuous time, i.e., nonsmooth Gaussian as well as jump Poisson random white noise. Optimization techniques for vector multiprocessors or vectorizing supercomputers include advanced data structures, loop restructuring, loop collapsing, blocking, and compiler directives. These advanced computing techniques and superconducting hardware help alleviate Bellman's curse of dimensionality in dynamic programming computations, by permitting the solution of large multibody problems. Possible applications include lumped flight dynamics models for uncertain environments, such as large scale and background random aerospace fluctuations.

Chung, Siu-Leung↗