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At least 1,711 records · Page 95

Time-dependent grid adaptation for meshes of triangles and tetrahedra

This paper presents in viewgraph form a method of optimizing grid generation for unsteady CFD flow calculations that distributes the numerical error evenly throughout the mesh. Adaptive meshing is used to locally enrich in regions of relatively large errors and to locally coarsen in regions of relatively small errors. The enrichment/coarsening procedures are robust for isotropic cells; however, enrichment of high aspect ratio cells may fail near boundary surfaces with relatively large curvature. The enrichment indicator worked well for the cases shown, but in general requires user supervision for a more efficient solution.

Russ D Rausch↗

Space Launch System Implementation of Adaptive Augmenting Control

Given the complex structural dynamics, challenging ascent performance requirements, and rigorous flight certification constraints owing to its manned capability, the NASA Space Launch System (SLS) launch vehicle requires a proven thrust vector control algorithm design with highly optimized parameters to provide stable and high-performance flight. On its development path to Preliminary Design Review (PDR), the SLS flight control system has been challenged by significant vehicle flexibility, aerodynamics, and sloshing propellant. While the design has been able to meet all robust stability criteria, it has done so with little excess margin. Through significant development work, an Adaptive Augmenting Control (AAC) algorithm has been shown to extend the envelope of failures and flight anomalies the SLS control system can accommodate while maintaining a direct link to flight control stability criteria such as classical gain and phase margin. In this paper, the work performed to mature the AAC algorithm as a baseline component of the SLS flight control system is presented. The progress to date has brought the algorithm design to the PDR level of maturity. The algorithm has been extended to augment the full SLS digital 3-axis autopilot, including existing load-relief elements, and the necessary steps for integration with the production flight software prototype have been implemented. Several updates which have been made to the adaptive algorithm to increase its performance, decrease its sensitivity to expected external commands, and safeguard against limitations in the digital implementation are discussed with illustrating results. Monte Carlo simulations and selected stressing case results are also shown to demonstrate the algorithm's ability to increase the robustness of the integrated SLS flight control system.

Wall, John H.↗

Quantum Alternating Operator Ansatz (QAOA) Phase Diagrams and Applications for Quantum Chemistry

Determining Hamiltonian ground states and energies is a challenging task with many possible approaches on quantum computers. While variational quantum eigensolvers are popular approaches for near term hardware, adiabatic state preparation is an alternative that does not require noisy optimization of parameters. Beyond adiabatic schedules, QAOA is an important method for optimization problems. In this work we modify QAOA to apply to finding ground states of molecules and empirically evaluate the modified algorithm on several molecules. This modification applies physical insights used in classical approximations to construct suitable QAOA operators and initial state. We find robust qualitative behavior for QAOA as a function of the number of steps and size of the parameters, and demonstrate this behavior also occurs in standard QAOA applied to combinatorial search. To this end we introduce QAOA phase diagrams that capture its performance and properties in various limits. In particular we show a region in which non-adiabatic schedules perform better than the adiabatic limit while employing lower quantum circuit depth. We further provide evidence our results and insights also apply to QAOA applications beyond chemistry.

Kremenetski, Vladimir↗

A Self-Tuning Kalman Filter for Autonomous Spacecraft Navigation

Most navigation systems currently operated by NASA are ground-based, and require extensive support to produce accurate results. Recently developed systems that use Kalman Filter and Global Positioning System (GPS) data for orbit determination greatly reduce dependency on ground support, and have potential to provide significant economies for NASA spacecraft navigation. Current techniques of Kalman filtering, however, still rely on manual tuning from analysts, and cannot help in optimizing autonomy without compromising accuracy and performance. This paper presents an approach to produce a high accuracy autonomous navigation system fully integrated with the flight system. The resulting system performs real-time state estimation by using an Extended Kalman Filter (EKF) implemented with high-fidelity state dynamics model, as does the GPS Enhanced Orbit Determination Experiment (GEODE) system developed by the NASA Goddard Space Flight Center. Augmented to the EKF is a sophisticated neural-fuzzy system, which combines the explicit knowledge representation of fuzzy logic with the learning power of neural networks. The fuzzy-neural system performs most of the self-tuning capability and helps the navigation system recover from estimation errors. The core requirement is a method of state estimation that handles uncertainties robustly, capable of identifying estimation problems, flexible enough to make decisions and adjustments to recover from these problems, and compact enough to run on flight hardware. The resulting system can be extended to support geosynchronous spacecraft and high-eccentricity orbits. Mathematical methodology, systems and operations concepts, and implementation of a system prototype are presented in this paper. Results from the use of the prototype to evaluate optimal control algorithms implemented are discussed. Test data and major control issues (e.g., how to define specific roles for fuzzy logic to support the self-learning capability) are also discussed. In addition, architecture of a complete end-to-end candidate flight system that provides navigation with highly autonomous control using data from GPS is presented.

Truong, Son H.↗

Robust Event Simulation Variants Endowed to Ns-3 for General Exploration

Sandia's ns-3 contributions are modifications to the open source ns-3 network simulator that enable simulation speedup. One improvement, for example, removes the need for simulating the transmission and receipt of packets between nodes that are too distant to actually be able to communicate. In large-scale simulations this optimization has shown significant gains in performance. Additional contributions will pave the way for parallel discrete simulation (PDES) in ns-3. SAND2020-12456 O Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Dickson, Joseph↗

A minimum cost tolerance allocation method for rocket engines and robust rocket engine design

Rocket engine design follows three phases: systems design, parameter design, and tolerance design. Systems design and parameter design are most effectively conducted in a concurrent engineering (CE) environment that utilize methods such as Quality Function Deployment and Taguchi methods. However, tolerance allocation remains an art driven by experience, handbooks, and rules of thumb. It was desirable to develop and optimization approach to tolerancing. The case study engine was the STME gas generator cycle. The design of the major components had been completed and the functional relationship between the component tolerances and system performance had been computed using the Generic Power Balance model. The system performance nominals (thrust, MR, and Isp) and tolerances were already specified, as were an initial set of component tolerances. However, the question was whether there existed an optimal combination of tolerances that would result in the minimum cost without any degradation in system performance.

Gerth, Richard J.↗

Simulation-driven optimization of high-order meshes in ALE hydrodynamics

Here we propose tools for high-order mesh optimization and demonstrate their benefits in the context of multi-material Arbitrary Lagrangian-Eulerian (ALE) compressible shock hydrodynamic applications. The mesh optimization process is driven by information provided by the simulation which uses the optimized mesh, such as shock positions, material regions, known error estimates, etc. These simulation features are usually represented discretely, for instance, as finite element functions on the Lagrangian mesh. The discrete nature of the input is critical for the practical applicability of the algorithms we propose and distinguishes this work from approaches that strictly require analytical information. Our methods are based on node movement through a high-order extension of the Target-Matrix Optimization Paradigm (TMOP). The proposed formulation is fully algebraic and relies only on local Jacobian matrices, so it is applicable to all types of mesh elements, in 2D and 3D, and any order of the mesh. We discuss the notions of constructing adaptive target matrices and obtaining their derivatives, reconstructing discrete data in intermediate meshes, node limiting that enables improvement of global mesh quality while preserving space-dependent local mesh features, and appropriate normalization of the objective function. The adaptivity methods are combined with automatic ALE triggers that can provide robustness of the mesh evolution and avoid excessive remap procedures. The benefits of the new high-order TMOP technology are illustrated on several simulations performed in the high-order ALE application BLAST.

97 MATHEMATICS AND COMPUTING↗

High-Nickel Cathodes with Mechanical and Interfacial Robustness via Tailored Concentration Gradients for Stable Li-Ion Batteries

Here, we have developed a versatile mathematical framework integrated with an automated reactor system to design and reify highly customizable full concentration gradient (FCG) in high-nickel cathodes for advanced Li-ion batteries. This method provides precise and independent control of the average composition, slope, and curvature of FCGs, enabling the optimization of structural and mechanical properties of the cathode materials. We have showcased this method with Ni 0.8 Co 0.1 Mn 0.1 (OH) 2 precursors of controlled FCGs, which unlocked an optimized cathode with excellent cycling stability without crack formation after repeated cycles. This work opens up new possibilities for the design and manufacturing of advanced cathode materials, enabling safer, high-performance batteries.

25 ENERGY STORAGE↗

Self-aligned concentrating immersion-lens arrays for patterning and efficiency recovery in scaffold-reinforced perovskite solar cells

In contrast to existing silicon, CIGS, and multi-junction cells that exhibit remarkable mechanical durability, perovskite solar cells have been shown to delaminate when subjected to the mechanical loads that occur during processing and field exposures, limiting their potential as a reliable solar technology. Mechanical reinforcement is thus essential for durable and reliable perovskite technologies. One current strategy to overcome the thermomechanical fragility of perovskite solar cells is to extrinsically shield them by introducing reinforcing scaffolds which partition the cell into many distinct microcells, but improvements in mechanical stability coincide with a reduced device efficiency due to parasitic absorption by the scaffold. We address this reduced efficiency by integrating concentrating immersion-lens arrays (CILAs) into scaffold-reinforced solar cells. These scaffolds are lithographically patterned by a maskless process, in which ultraviolet light is used to pattern the scaffolds through the CILAs, ensuring self-alignment and optical contact with the microcells. Perovskite devices are deposited into the microcells, and during operation, light is concentrated into the microcells and away from the insulating scaffolds, resulting in mechanically resilient solar cells with efficiencies comparable to planar devices. The CILAs also exhibit passive tracking of incident light—verified experimentally and with ray-tracing simulations—which is critical for optimal power output as the sun moves across the sky during the day. The simplicity of the fabrication process and the efficiency of the resulting scaffolded devices show that a lens-integrated scaffold-reinforced structure is a potential pathway to high-performance, robust, commercially viable perovskite solar cells.

14 SOLAR ENERGY↗

Ultra-stable trimetallic phosphide heterostructure with regulated electronic structure for overall water splitting at high current densities

Developing ultra-stable electrocatalysts for highly efficient overall water splitting at high current density (HCD) is critical for renewable hydrogen/oxygen production in the industry. However, the most active electrocatalysts for large current-driven water splitting are seriously handicapped by insufficient electrical contact kinetics due to the intensive bubble overflow. Herein, we demonstrate the ultra-stable trimetallic phosphides of NiFeP/NiCoP catalysts on a hydrophilic Ni foam skeleton via a corrosion-hydrothermal-phosphating strategy. The optimized NiFeP/NiCoP catalyst stabilizes for 600 h at -1 A cm -2 for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) in alkaline solution, and it only needs low overpotentials of 237 and 314 mV to drive HER and OER at 1 A cm -2 , respectively. As expected, the optimized NiFeP/NiCoP electrode maintains 1000 h at 0.5 A cm -2 for water splitting, ranking among the top performers among reported catalysts. Such excellent performance could be attributed to the fast electron transfer for electrochemical reactions, the electron-deficient Fe/Ni sites contribute to forming robust metal oxyhydroxide during OER, and electron-rich Co sites facilitate H adsorption during HER. In conclusion, the findings present a highly promising candidate for ultra-stable non-noble metal electrocatalysts, offering a viable option for hydrogen/oxygen supply for fuel cells and metal-air batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Efficient Mixed-Precision Matrix Factorization of the Inverse Overlap Matrix in Electronic Structure Calculations with AI-Hardware and GPUs

In recent years, a new kind of accelerated hardware has gained popularity in the artificial intelligence (AI) community which enables extremely high-performance tensor contractions in reduced precision for deep neural network calculations. In this article, we exploit Nvidia Tensor cores, a prototypical example of such AI-hardware, to develop a mixed precision approach for computing a dense matrix factorization of the inverse overlap matrix in electronic structure theory, S –1 . This factorization of S –1 , written as ZZT = S –1 , is used to transform the general matrix eigenvalue problem into a standard matrix eigenvalue problem. Here we present a mixed precision iterative refinement algorithm where Z is given recursively using matrix–matrix multiplications and can be computed with high performance on Tensor cores. To understand the performance and accuracy of Tensor cores, comparisons are made to GPU-only implementations in single and double precision. Additionally, we propose a nonparametric stopping criteria which is robust in the face of lower precision floating point operations. The algorithm is particularly useful when we have a good initial guess to Z, for example, from previous time steps in quantum-mechanical molecular dynamics simulations or from a previous iteration in a geometry optimization.

36 MATERIALS SCIENCE↗

Reconstructing magnetic deflections from sets of proton images using differential evolution

Proton imaging is a powerful technique for imaging electromagnetic fields within an experimental volume, in which spatial variations in proton fluence are a result of deflections to proton trajectories due to interaction with the fields. When deflections are large, proton trajectories can overlap, and this nonlinearity creates regions of greatly increased proton fluence on the image, known as caustics. The formation of caustics has been a persistent barrier to reconstructing the underlying fields from proton images. We have developed a new method for reconstructing the path-integrated magnetic fields, which begins to address the problem posed by caustics. Our method uses multiple proton images of the same object, each image at a different energy, to fill in the information gaps and provide some uniqueness when reconstructing caustic features. We use a differential evolution algorithm to iteratively estimate the underlying deflection function, which accurately reproduces the observed proton fluence at multiple proton energies simultaneously. We test this reconstruction method using synthetic proton images generated for three different, cylindrically symmetric field geometries at various field amplitudes and levels of proton statistics and present reconstruction results from a set of experimental images. Here, the method we propose requires no assumption of deflection linearity and can reliably solve for fields underlying linear, nonlinear, and caustic proton image features for the selected geometries and is shown to be fairly robust to noise in the input proton intensity.

47 OTHER INSTRUMENTATION↗

Modified SUMT for structural synthesis

The concepts of the singular perturbation theory are employed to modify the SUMT (Sequential Unconstrained Minimization Technique) algorithm of Fiacco-McCormick (1968) in order to make it more robust and reliable. The algorithm, which uses a sequence of penalty parameters to convert a constrained problem into a sequence of unconstrained problems, suffers from the need to minimize an ill-conditioned penalty function. By using the modified SUMT algorithm on two different structural optimization problems, it is shown that the singular perturbation SUMT easily converges to accurate solutions.

Kamat, M. P.↗

Optimal matrix approximants in structural identification

Problems of model correlation and system identification are central in the design, analysis, and control of large space structures. Of the numerous methods that have been proposed, many are based on finding minimal adjustments to a model matrix sufficient to introduce some desirable quality into that matrix. In this work, several of these methods are reviewed, placed in a modern framework, and linked to other previously known ideas in computational linear algebra and optimization. This new framework provides a point of departure for a number of new methods which are introduced here. Significant among these is a method for stiffness matrix adjustment which preserves the sparsity pattern of an original matrix, requires comparatively modest computational resources, and allows robust handling of noisy modal data. Numerical examples are included to illustrate the methods presented herein.

Beattie, C. A.↗

Model based matching using simulated annealing and a minimum representation size criterion

We define the model based matching problem in terms of the correspondence and transformation that relate the model and scene, and the search and evaluation measures needed to find the best correspondence and transformation. Simulated annealing is proposed as a method for search and optimization, and the minimum representation size criterion is used as the evaluation measure in an algorithm that finds the best correspondence. An algorithm based on simulated annealing is presented and evaluated. This algorithm is viewed as a part of an adaptive, hierarchical approach which provides robust results for a variety of model based matching problems.

Ravichandran, B.↗

Integration of Online Parameter Identification and Neural Network for In-Flight Adaptive Control

An indirect adaptive system has been constructed for robust control of an aircraft with uncertain aerodynamic characteristics. This system consists of a multilayer perceptron pre-trained neural network, online stability and control derivative identification, a dynamic cell structure online learning neural network, and a model following control system based on the stochastic optimal feedforward and feedback technique. The pre-trained neural network and model following control system have been flight-tested, but the online parameter identification and online learning neural network are new additions used for in-flight adaptation of the control system model. A description of the modification and integration of these two stand-alone software packages into the complete system in preparation for initial flight tests is presented. Open-loop results using both simulation and flight data, as well as closed-loop performance of the complete system in a nonlinear, six-degree-of-freedom, flight validated simulation, are analyzed. Results show that this online learning system, in contrast to the nonlearning system, has the ability to adapt to changes in aerodynamic characteristics in a real-time, closed-loop, piloted simulation, resulting in improved flying qualities.

Hageman, Jacob↗

Integration of Online Parameter Identification and Neural Network for In-Flight Adaptive Control

An indirect adaptive system has been constructed for robust control of an aircraft with uncertain aerodynamic characteristics. This system consists of a multilayer perceptron pre-trained neural network, online stability and control derivative identification, a dynamic cell structure online learning neural network, and a model following control system based on the stochastic optimal feedforward and feedback technique. The pre-trained neural network and model following control system have been flight-tested, but the online parameter identification and online learning neural network are new additions used for in-flight adaptation of the control system model. A description of the modification and integration of these two stand-alone software packages into the complete system in preparation for initial flight tests is presented. Open-loop results using both simulation and flight data, as well as closed-loop performance of the complete system in a nonlinear, six-degree-of-freedom, flight validated simulation, are analyzed. Results show that this online learning system, in contrast to the nonlearning system, has the ability to adapt to changes in aerodynamic characteristics in a real-time, closed-loop, piloted simulation, resulting in improved flying qualities.

Hageman, Jacob J.↗

Direct Multiple Shooting Optimization with Variable Problem Parameters

Taking advantage of a novel approach to the design of the orbital transfer optimization problem and advanced non-linear programming algorithms, several optimal transfer trajectories are found for problems with and without known analytic solutions. This method treats the fixed known gravitational constants as optimization variables in order to reduce the need for an advanced initial guess. Complex periodic orbits are targeted with very simple guesses and the ability to find optimal transfers in spite of these bad guesses is successfully demonstrated. Impulsive transfers are considered for orbits in both the 2-body frame as well as the circular restricted three-body problem (CRTBP). The results with this new approach demonstrate the potential for increasing robustness for all types of orbit transfer problems.

Whitley, Ryan J.↗