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At least 523 records · Page 29

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NASA NTRS1985

Parameter identification for a robotic manipulator arm

The development is described of a nonlinear dynamic model for large oscillations of a robotic manipulator arm about a single joint. Optimization routines are formulated and implemented for the identification of electrical and physical parameters from dynamic data taken from an industrial robot arm. Special attention is given to the role of sensitivity in the formulation of robust models of this motion. The importance of actuator effects in the reduction of sensitivity is established and used to develop an electromechanical model of the manipulator system.

Brewer, D. W.↗

DOE OSTI2025

Uncertainty propagation and sensitivity analysis for constrained optimization of nuclear waste vitrification

Abstract The vitrification of high‐level waste (HLW) by heating a mixture of glass‐forming chemicals (GFCs) with the waste can be improved using a constrained optimization problem. This study explores how different uncertainty propagation (UP) methods implemented with the optimization process can affect the glass formulation of nuclear waste glasses. UP is the effort of propagating uncertain inputs through a system to understand and quantify output distributions. Uncertainty intervals are crafted from output distributions to inform the optimization algorithm. UP is often implemented with Monte Carlo (MC) sampling for large nonlinear systems, which can be difficult to implement within a constrained optimization algorithm that requires derivative information. Other UP methods often used for optimization under uncertainty (OUU) can be designed to work within an established constrained optimization framework. Methods of UP are evaluated in this study including iterative sampling approaches, first‐order approximations, and surrogate modeling with machine learning (ML). A method of dimensional reduction based on global sensitivity analysis is introduced to support the UP methods for the large dimensionality of the problem. Analytical UP methods able to achieve similar optimums 10 times faster than the baseline MC approach, and produce 93.9% similar output distributions are reported.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1991

Hierarchically parallelized constrained nonlinear solvers with automated substructuring

This paper develops a parallelizable multilevel constrained nonlinear equation solver. The substructuring process is automated to yield appropriately balanced partitioning of each succeeding level. Due to the generality of the procedure, both sequential, partially and fully parallel environments can be handled. This includes both single and multiprocessor assignment per individual partition. Several benchmark examples are presented. These illustrate the robustness of the procedure as well as its capacity to yield significant reductions in memory utilization and calculational effort due both to updating and inversion.

Padovan, J.↗

DOE OSTI2020

Lift & Learn: Physics-informed machine learning for large-scale nonlinear dynamical systems

In this work, we present Lift & Learn, a physics-informed method for learning low-dimensional models for large-scale dynamical systems. The method exploits knowledge of a system’s governing equations to identify a coordinate transformation in which the system dynamics have quadratic structure. This transformation is called a lifting map because it often adds auxiliary variables to the system state. The lifting map is applied to data obtained by evaluating a model for the original nonlinear system. This lifted data is projected onto its leading principal components, and low-dimensional linear and quadratic matrix operators are fit to the lifted reduced data using a least-squares operator inference procedure. Analysis of our method shows that the Lift & Learn models are able to capture the system physics in the lifted coordinates at least as accurately as traditional intrusive model reduction approaches. This preservation of system physics makes the Lift & Learn models robust to changes in inputs. Numerical experiments on the FitzHugh–Nagumo neuron activation model and the compressible Euler equations demonstrate the generalizability of our model.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Parametric Finite Element Analysis of Naturally Corroded Steel Specimens Using 3D Surface Laser Scans

Corrosion is considered a uniform thickness reduction design guideline of the maritime industry. However, additionally, the corroded and irregular morphology of the surface affects the steel's load-bearing capacity and its impact on the strength and elongation behaviour of the steel is not yet fully understood. These effects on the local behaviour of steel structures under tensile loading were investigated with tensile tests on naturally corroded steel specimens and nonlinear finite element simulations including the corroded surface morphology with a uniform surface idealation. The models also include the deformed specimen shape. The developed approach led to highly accurate parametric finite element models predicting the ultimate tensile strength and longitudinal position of fracture. The results show that all included aspects are essential for accurate simulations, while solely the maximum available surface resolution was not as decisive.

corrosion↗

NASA NTRS1976

Flight flutter testing technology at Grumman

Analysis techniques used in the automated telemetry station (ATS) for on line data reduction are encompassed in a broad range of software programs. Concepts that form the basis for the algorithms used are mathematically described. The control the user has in interfacing with various on line programs is discussed. The various programs are applied to an analysis of flight data which includes unimodal and bimodal response signals excited via a swept frequency shaker and/or random aerodynamic forces. A nonlinear response error modeling analysis approach is described. Preliminary results in the analysis of a hard spring nonlinear resonant system are also included.

Perangelo, H. J.↗

NASA NTRS1988

Reduced order models for nonlinear aerodynamics

Reduced order models are needed for reliable, efficient and accurate prediction of aerodynamic forces to analyze fluid structure interaction problems in turbomachinery, including propfans. Here, a finite difference, time marching Navier-Stokes code is validated for unsteady airfoil motion by comparing results with those from classical potential flow. The Navier-Stokes code is then analyzed for calculation of primitive and exact estimates of eigenvalues and eigenvectors associated with fluid-airfoil interaction. A variational formulation for the Euler equations and Navier-Stokes equations will be the basis for reduction of order through an eigenvector transformation.

Mahajan, Aparajit J.↗

DOE OSTI2021

Electrocatalytic Reduction of CO 2 to CO over Ag(110) and Cu(211) Modeled by Grand-Canonical Density Functional Theory

We report the results of modeling CO 2 reduction (CO 2 R) to CO over Ag(110) and Cu(211) surfaces at different applied potentials using grand-canonical density functional theory (GC-DFT), a method specifically designed to accurately model electrochemical systems. In addition to demonstrating GC-DFT’s ability to accurately model electrochemical processes, we also compare it with the computational hydrogen electrode (CHE) approach. GC-DFT predicts that the geometries of these reacting systems strongly depend on the applied potential and the Helmholtz free energies vary nonlinearly with the applied potential, which contradicts a central assumption of the CHE approach. The CHE approach neglects the change in the number of electrons on the electrode surface at different applied potentials, which reduces its accuracy as the potential changes from the potential of zero charge. Our results further demonstrate that the grand free energies of the reaction intermediates not only depend on the value of the applied potential but also on the metal surface type, adsorption site, and adsorbate. GC-DFT’s ability to predict the effect of the applied potential on adsorbate geometry enables it to evaluate different possible reaction mechanisms at different applied potentials. For instance, GC-DFT predicts that the first step of CO2R likely switches from proton-coupled electron transfer to sequential electron transfer and then proton transfer at more reducing potentials, a result that cannot be determined by the CHE because it assumes that all electron transfers are coupled to proton transfers and neglects the effect of the applied potential on the adsorbate geometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Probing lithium mobility at a solid electrolyte surface

Abstract Solid-state electrolytes overcome many challenges of present-day lithium ion batteries, such as safety hazards and dendrite formation 1,2 . However, detailed understanding of the involved lithium dynamics is missing due to a lack of in operando measurements with chemical and interfacial specificity. Here we investigate a prototypical solid-state electrolyte using linear and nonlinear extreme-ultraviolet spectroscopies. Leveraging the surface sensitivity of extreme-ultraviolet-second-harmonic-generation spectroscopy, we obtained a direct spectral signature of surface lithium ions, showing a distinct blueshift relative to bulk absorption spectra. First-principles simulations attributed the shift to transitions from the lithium 1 s state to hybridized Li- s /Ti- d orbitals at the surface. Our calculations further suggest a reduction in lithium interfacial mobility due to suppressed low-frequency rattling modes, which is the fundamental origin of the large interfacial resistance in this material. Our findings pave the way for new optimization strategies to develop these electrochemical devices via interfacial engineering of lithium ions.

25 ENERGY STORAGE↗

DOE OSTI2021

Investigation of UV filaments and their applications

UV laser pulses at 266 nm with 170 ps duration and up to 300 mJ energy create UV filaments. The effects of different beam preparation scenarios on UV filamentation are discussed. Beam preparation by focusing in vacuum and launching into the atmosphere through an aerodynamic window establishes the existence of filaments as self-guided non-diffracting entities. In addition, focusing through the aerodynamic window converts the initial super-Gaussian into a parabolic beam profile at the edge of the nonlinear medium (air). The shock-wave generated by the UV filament is investigated via shadowgraphy techniques. The shock-wave is cylindrically symmetric, leaving a low density channel behind, which is well-sustained for 1 ms, as it propagates outward. This low density channel is a waveguide that can be used for guiding purposes. Applications of UV filaments including guiding, remote sensing, and drag reduction for supersonic aircrafts are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1994

Hierarchically Parallelized Constrained Nonlinear Solvers with Automated Substructuring

This paper develops a parallelizable multilevel multiple constrained nonlinear equation solver. The substructuring process is automated to yield appropriately balanced partitioning of each succeeding level. Due to the generality of the procedure,_sequential, as well as partially and fully parallel environments can be handled. This includes both single and multiprocessor assignment per individual partition. Several benchmark examples are presented. These illustrate the robustness of the procedure as well as its capability to yield significant reductions in memory utilization and calculational effort due both to updating and inversion.

Padovan, Joe↗

DOE OSTI2023

Multigrid Reduction in Time for Chaotic Dynamical Systems

As CPU clock speeds have stagnated and high performance computers continue to have ever higher core counts, increased parallelism is needed to take advantage of these new architectures. Traditional serial time-marching schemes can be a significant bottleneck, as many types of simulations require large numbers of time-steps which must be computed sequentially. Parallel-in-time schemes, such as the Multigrid Reduction in Time (MGRIT) method, remedy this by parallelizing across time-steps and have shown promising results for parabolic problems. However, chaotic problems have proved more difficult, since chaotic initial value problems (IVPs) are inherently ill-conditioned. MGRIT relies on a hierarchy of successively coarser time-grids to iteratively correct the solution on the finest time-grid, but due to the nature of chaotic systems, small inaccuracies on the coarser levels can be greatly magnified and lead to poor coarse-grid corrections. Here we introduce a modified MGRIT algorithm based on an existing quadratically converging nonlinear extension to the multigrid Full Approximation Scheme (FAS), as well as a novel time-coarsening scheme. Together, these approaches better capture long-term chaotic behavior on coarse-grids and greatly improve convergence of MGRIT for chaotic IVPs. Further, we introduce a novel low-memory variant of the algorithm for solving chaotic PDEs with MGRIT which not only solves the IVP, but also provides estimates for the unstable Lyapunov vectors of the system. Finally, we provide supporting numerical results for the Lorenz system and demonstrate parallel speedup for the chaotic Kuramoto–Sivashinsky PDE over a significantly longer time-domain than in previous works.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Evidence for a thermally driven charge-density-wave transition in 1T-TaS 2 thin-film devices: Prospects for GHz switching speed

We report on the room-temperature switching of 1T-TaS 2 thin-film charge-density-wave devices, using nanosecond-duration electrical pulsing to construct their time-resolved current–voltage characteristics. The switching action is based upon the nearly commensurate to incommensurate charge-density-wave phase transition in this material, which has a characteristic temperature of 350 K at thermal equilibrium. For sufficiently short pulses, with rise times in the nanosecond range, self-heating of the devices is suppressed, and their current–voltage characteristics are weakly nonlinear and free of hysteresis. This changes as the pulse duration is increased to ~200 ns, where the current develops pronounced hysteresis that evolves nonmonotonically with the pulse duration. By combining the results of our experiments with a numerical analysis of transient heat diffusion in these devices, we clearly reveal the thermal origins of their switching. In spite of this thermal character, our modeling suggests that suitable reduction of the size of these devices should allow their operation at GHz frequencies.

36 MATERIALS SCIENCE↗

NASA NTRS1978

Investigations of simulated aircraft flight through thunderstorm outflows

The effects of wind shear on aircraft flying through thunderstorm gust fronts were investigated. A computer program was developed to solve the two dimensional, nonlinear equations of aircraft motion, including wind shear. The procedure described and documented accounts for spatial and temporal variations of the aircraft within the flow regime. Analysis of flight paths and control inputs necessary to maintain specified trajectories for aircraft having characteristics of DC-8, B-747, augmentor wing STOL, and DHC-6 aircraft was recorded. From the analysis an attempt was made to find criteria for reduction of the hazards associated with landing through thunderstorm gust fronts.

Frost, W.↗

NASA NTRS1995

Reduction, analysis, and properties of electric current systems in solar active regions

The specific attraction and, in large part, the significance of solar magnetograms lie in the fact that they give the most important data on the electric currents and the nonpotentiality of active regions. Using the vector magnetograms from the Marshall Space Flight Center (MSFC), we employ a unique technique in the area of data analysis for resolving the 180 deg ambiguity in order to calculate the spatial structure of the vertical electric current density. The 180 deg ambiguity is resolved by applying concepts from the nonlinear multivariable optimization theory. The technique is shown to be of particular importance in very nonpotential active regions. The characterization of the vertical electric current density for a set of vector magnetograms using this method then gives the spatial scale, locations, and magnitude of these current systems. The method, which employs an intermediate parametric function which covers the magnetogram and which defines the local `preferred' direction, minimizes a specific functional of the observed transverse magnetic field. The specific functional that is successful is the integral of the square of the vertical current density. We find that the vertical electric current densities have common characteristics for the extended bipolar (beta) (gamma) (delta)-regions studied. The largest current systems have j(sub z)'s which maximizes around 30 mA/sq m and have a linear decreasing distribution to a diameter of 30 Mn.

Gary, G. Allen↗

NASA NTRS1995

Reduction, Analysis, and Properties of Electric Current Systems in Solar Active Regions

The specific attraction and, in large part, the significance of solar vector magnetograms lie in the fact that they give the most important data on the electric currents and the nonpotentiality of active regions. Using the vector magnetograms from the Marshall Space Flight Center (MSFC), we employ a unique technique in the area of data analysis for resolving the 180 degree ambiguity in order to calculate the spatial structure of the vertical electric current density. The 180 degree ambiguity is resolved by applying concepts from the nonlinear multivariable optimization theory. The technique is shown to be of particular importance in very nonpotential active regions. The characterization of the vertical electric current density for a set of vector magnetograms using this method then gives the spatial scale, locations, and magnitude of these current systems. The method, which employs an intermediate parametric function which covers the magnetogram and which defines the local "preferred" direction, minimizes a specific functional of the observed transverse magnetic field. The specific functional that is successful is the integral of the square of the vertical current density. We find that the vertical electric current densities have common characteristics for the extended bipolar beta gamma delta-regions studied. The largest current systems have j(sub z)'s which maximizes around 30 mA per square meter and have a linear decreasing distribution to a diameter of 30 Mm.

Gary, G. Allen↗

DOE OSTI2024

Effects of hydrogen isotope species on ITG microturbulence in LHD

Abstract The linear and nonlinear effects of hydrogen isotope species on ion temperature gradient (ITG) instability in the Large Helical Device (LHD) stellarator are studied using radially global gyrokinetic simulation. We found that the coupling range of linear toroidal harmonics depends on the ion mass of the hydrogen isotope. The growth rates of ITG mode are almost the same for H, D, and T plasmas, indicating a gyro-Bohm scaling of ion-mass dependence. The nonlinear electrostatic simulations show that the zonal flow breaks the radially elongated eigenmode structures and reduces the size of the turbulence eddies, which suppresses the turbulence and the ion heat transport in the LHD. The turbulence amplitude without the zonal flow is almost the same for H, D, and T plasmas, while it decreases with increasing ion mass of the hydrogen isotope when the zonal flow is present. The reduction of the turbulent transport with larger ion mass is mostly due to the enhancement of zonal flows by larger ion mass. The ion heat conductivity deviates from the gyro-Bohm scaling for both cases with and without the zonal flow.

Physics↗

DOE OSTI2021

Applying Time-Parallelization to Turbulent Flows

Parallelization of the temporal domain is explored for the solution of turbulent flows. Multigrid reduction-in-time (MGRIT) is used to advance the large-scale fluid dynamics in time sequentially on the coarsest space-time grid but propagate the information in time parallel on all other levels. The goal of this process is to accurately and efficiently resolve the coarse-scale turbulence structure and use that to drive the fine-scales of the turbulent flow. The extra forcing from nonlinear multigrid facilitates the coupling and interaction between fine and coarse scales, through which the multiscale nonlinear physics is properly captured. Adaptive mesh refinement is employed to finely resolve only the regions with strong gradients, which provides further computational efficiency. The underlying computational fluid dynamics solver is a fourth-order finite-volume scheme with the standard 4-stage Runge-Kutta method. An advanced approach is devised and implemented to enable MGRIT to solve highly turbulent flows successfully. Furthermore, the method is applied to solve a Taylor-Green vortex problem and a doubleshear-layer turbulent mixing flow. Results are promising, validating that MGRIT with the filtering approach has the potential to efficiently solve general turbulent flows.

Computational Fluid Dynamics↗