Gradient methods for the optimization of dynamic system parameters by hybrid computation.
Computer implementation of gradient method in continuous and discrete optimization of dynamic system
DISCRETE FUNCTION↗
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Results for “Parameter 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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Laser Powder Bed Fusion Additive Manufacture Nb1Zr Development
Next generation fission and fusion nuclear reactors require materials that can withstand operating temperatures greater than 500 °C, neutron irradiation doses of up to 200 displacements per atom (dpa), and potentially corrosive coolants such as the alkali liquid metals sodium, lithium, and NaK (Na33K eutectic alloy). Refractory alloys, such as Nb1Zr (Nb-1wt%Zr) and Molybdenum alloy TZM (Mo-0.5wt%Ti-0.08wt%Zr) have been traditionally considered viable candidates for advanced fission and fusion reactor concepts. However, it is relatively difficult to generate complex geometries of interest from these alloys using traditional manufacturing methods. In addition, there needs to be a concentrated effort to address refractory metal challenges at elevated temperature operation. In order to generate complex geometries of interest, modern manufacturing techniques are considered to increase the technological readiness level (TRL), cost-effectiveness, and schedule savings. This work focused on the continued development of laser powder bed fusion (L-PBF) additive manufacturing (AM) to improve both design flexibility, evaluate microstructure and properties, and ultimately accelerate the TRL and qualification of these processes and alloys for components to potentially be put into service. Niobium alloy Nb1Zr was identified through a down-selection process outlined in previous reports as a candidate to develop in L-PBF AM. Historically, Nb1Zr had been explored for high temperature fast spectrum fission reactors for both terrestrial and space applications. Molybdenum alloy TZM has also been considered for these reactor concepts due to exceptional high-temperature strength, creep resistance, and stability under irradiation. L-PBF AM of TZM has previously been investigated at LANL under the Microreactor program, NASA, ORNL, and in academia. However, due to the crack prone nature of TZM, L-PBF AM of TZM resulted in significant microcracking and additional development is required to pursue viable maturation. Other AM methods have been found to be more successful in printing TZM, and those alternatives approaches are discussed in this effort. The efforts detailed in this report focused on continued development of Nb1Zr through L-PBF and development of TZM via L-PBF and electron powder bed fusion (E-PBF). The objective of this work was to further the development of these AM techniques for the chosen refractory alloys, elucidating and addressing associated challenges through characterization of several demonstration builds. At LANL, Nb1Zr builds were completed using an EOS M290 and M400 machines, and a refractory alloy-dedicated L-PBF system, the Xact Metal XM200G, was installed. The XM200G primary purpose was to do the Nb1Zr parameter development process; however, due to difficulties associated with the machine installation and qualification process, it was decided to pivot development to the larger M400 and M290 machines. Although the supply of Nb1Zr powder was limited, it was sufficient to generate sub-scale metallographic specimens for the purpose of parameter development. This was first accomplished on the EOS M400 then the M290 due to machine schedule availability. Further development of TZM has been initiated at the University of Texas El Paso (UTEP) under contract with LANL to use both a heated build envelope L-PBF machine and E-PBF machine that have been found in the literature to mitigate microcracking. UTEP was provided with TZM powder and build plates to support parallel TZM parameter development across both machines. As part of the contract, UTEP will also be conducting microstructural characterization once optimized process parameters have been identified. The optimized process parameters for each machine will be used to generate a series of metallographic, mechanical, and surface finish specimens for subsequent characterization and testing. In the next section, we provide a detailed discussion of the methodology used for investigating the feasibility of leveraging these alloys for use in advanced reactor applications.
36 MATERIALS SCIENCE↗
Optimization of the CVD parameters for ZnO nanorods growth: Its photoluminescence and field emission properties
Highlights: • Home-made CVD reactor fabricated and successfully used for growing ZnO nanorods. • Growth of nanostructures depends on several CVD process parameters. • CVD parameters, flow rate of carrier gas, substrate temperature, Au catalyst droplet size, growth time duration, etc. optimized. • The mechanism of crystal growth understood by studying FESEM/TEM/XRD. • Photoluminescence and Field emission studies done for defects and applications. - Abstract: Vertically aligned single crystalline ZnO nanorods arrays were grown on a silicon substrate in a CVD reactor using Au as a catalyst. The CVD parameters such as substrate temperature, catalyst layer thickness/morphology and reaction time play a crucial role in the synthesis of nanostructures by the vapor-liquid-solid process. By optimizing these various CVD parameters, highly controlled guided growth of ZnO nanorods was achieved. The structural and morphological properties of resultant ZnO nanorods were studied by means of X-ray diffraction, high-resolution transmission electron microscopy, selected area electron diffraction and field emission scanning electron microscopy. The photoluminescence spectroscopy was also done to investigate the defects in grown ZnO nanorods. The field emission results of nanorods array indicated that the properties of the field emission follow Fowler–Nordheim law. The nanorods (grown for 20 min) are vertically aligned on the substrate surface without entanglements and with good crystal quality as well which is very important for several applications.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Modeling error PDF optimization based wavelet neural network modeling of dynamic system and its application in blast furnace ironmaking
In general, the modeling errors of dynamic system model are a set of random variables. The traditional performance index of modeling such as means square error (MSE) and root means square error (RMSE) can not fully express the connotation of modeling errors with stochastic characteristics both in the dimension of time domain and space domain. Therefore, the probability density function (PDF) is introduced to completely describe the modeling errors in both time scales and space scales. Based on it, a novel wavelet neural network (WNN) modeling method is proposed by minimizing the two-dimensional (2D) PDF shaping of modeling errors. First, the modeling error PDF by the tradional WNN is estimated using data-driven kernel density estimation (KDE) technique. Then, the quadratic sum of 2D deviation between the modeling error PDF and the target PDF is utilized as performance index to optimize the WNN model parameters by gradient descent method. Since the WNN has strong nonlinear approximation and adaptive capability, and all the parameters are well optimized by the proposed method, the developed WNN model can make the modeling error PDF track the target PDF, eventually. Simulation example and application in a blast furnace ironmaking process show that the proposed method has a higher modeling precision and better generalization ability compared with the conventional WNN modeling based on MSE criteria. Furthermore, the proposed method has more desirable estimation for modeling error PDF that approximates to a Gaussian distribution whose shape is high and narrow.
Modelling↗
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.↗
Concurrent optimization of airframe and engine design parameters
An integrated system for the multidisciplinary analysis and optimization of airframe and propulsion design parameters is being developed. This system is known as IPAS, the Integrated Propulsion/Airframe Analysis System. The traditional method of analysis is one in which the propulsion system analysis is loosely coupled to the overall mission performance analysis. This results in a time consuming iterative process. First, the engine is designed and analyzed. Then, the results from this analysis are used in a mission analysis to determine the overall aircraft performance. The results from the mission analysis are used as a guide as the engine is redesigned and the entire process repeated. In IPAS, the propulsion system, airframe, and mission are closely coupled. The propulsion system analysis code is directly integrated into the mission analysis code. This allows the propulsion design parameters to be optimized along with the airframe and mission design parameters, significantly reducing the time required to obtain an optimized solution.
Lavelle, Thomas M.↗
Concurrent optimization of airframe and engine design parameters
An integrated system for the multidisciplinary analysis and optimization of airframe and propulsion design parameters is being developed. This system is known as IPAS, the Integrated Propulsion/Airframe Analysis System. The traditional method of analysis is one in which the propulsion system analysis is loosely coupled to the overall mission performance analysis. This results in a time consuming iterative process. First, the engine is designed and analyzed. Then, the results from this analysis are used in a mission analysis to determine the overall aircraft performance. The results from the mission analysis are used as a guide as the engine redesigned and the entire process repeated. In IPAS, the propulsion system, airframe, and mission are closely coupled. The propulsion system analysis code is directly integrated into the mission analysis code. This allows the propulsion design parameters to be optimized along with the airframe and mission design parameters, significantly reducing the time required to obtain an optimized solution.
Lavelle, Thomas M.↗
Process–Property–Performance Mapping of Additively Manufactured 316H Stainless Steel Components
The Advanced Materials and Manufacturing Technologies Program is focused on accelerating the development of advanced materials and components fabricated via additive manufacturing, and is using laser powder bed fusion (LPBF) of 316H stainless steel as an initial case study. In the previous fiscal year, miniature high-throughput specimens were printed on multiple LPBF systems to provide initial processing windows to minimize porosity and limit epitaxial grain growth during prints. This fiscal year, scaled builds were completed on three different LPBF systems at ORNL: a GE Concept Laser M2, a Renishaw AM400, and an EOS M290. Builds on the Concept Laser were conducted on multiple powder lots and processing parameter ranges to provide microstructure effects on time-independent and time-dependent mechanical properties. Builds on the Renishaw were produced using Oak Ridge National Laboratory (ORNL)-optimized printing parameters and Argonne National Laboratory (ANL)-optimized printing parameters to compare outcomes of parallel process optimization efforts at different national laboratories on the same LPBF system. Similarly, the build completed on the EOS M290 replicated the processing parameters of builds completed at Los Alamos National Laboratory (LANL). Optical microscopy and electron backscatter diffraction characterization was completed on all builds. In addition to the general round robin characterization, this work-package generated time-independent data, including tensile and fracture toughness test data on scaled Concept Laser builds as a function of processing parameters and post-build heat treatment. This analysis is complimentary to work in parallel work packages aiming to establish heat treatment and processing effects on time-dependent properties. It was found that although the stress-relief heat treatment provides the highest strength at lower-temperatures, tensile strength begins to converge at higher temperatures regardless of heat treatment condition. In addition, the more rigorous solution annealing and hot-isostatic pressing post-build heat treatments result in higher fracture toughness than the stress-relieved condition. The root-causes of the lower fracture toughness of the stress-relieved LPBF 316H material was informed via a stress-relief optimization study on a scaled concept laser print, where it was found that although dislocation recovery was largely complete after only a couple hours at 650°C, the extended hold of the current 24h heat treatment employed on scaled builds likely caused increased carbide volume fractions along the LPBF 316H grain boundaries, thereby deteriorating crack propagation resistance. This trend was seen to become more deleterious with additional increases of stress-relief temperature to 750°C or 850°C. These results have helped inform a new optimal stress-relief annealing condition for LPBF 316H for future campaign testing (650°C for 2h).
36 MATERIALS SCIENCE↗
Process–Property–Performance Mapping of Additively Manufactured 316H Stainless Steel Components
The Advanced Materials and Manufacturing Technologies Program is focused on accelerating the development of advanced materials and components fabricated via additive manufacturing, and is using laser powder bed fusion (LPBF) of 316H stainless steel as an initial case study. In the previous fiscal year, miniature high-throughput specimens were printed on multiple LPBF systems to provide initial processing windows to minimize porosity and limit epitaxial grain growth during prints. This fiscal year, scaled builds were completed on three different LPBF systems at ORNL: a GE Concept Laser M2, a Renishaw AM400, and an EOS M290. Builds on the Concept Laser were conducted on multiple powder lots and processing parameter ranges to provide microstructure effects on time-independent and time-dependent mechanical properties. Builds on the Renishaw were produced using Oak Ridge National Laboratory (ORNL)-optimized printing parameters and Argonne National Laboratory (ANL)-optimized printing parameters to compare outcomes of parallel process optimization efforts at different national laboratories on the same LPBF system. Similarly, the build completed on the EOS M290 replicated the processing parameters of builds completed at Los Alamos National Laboratory (LANL). Optical microscopy and electron backscatter diffraction characterization was completed on all builds. In addition to the general round robin characterization, this work-package generated time-independent data, including tensile and fracture toughness test data on scaled Concept Laser builds as a function of processing parameters and post-build heat treatment. This analysis is complimentary to work in parallel work packages aiming to establish heat treatment and processing effects on time-dependent properties. It was found that although the stress-relief heat treatment provides the highest strength at lower-temperatures, tensile strength begins to converge at higher temperatures regardless of heat treatment condition. In addition, the more rigorous solution annealing and hot-isostatic pressing post-build heat treatments result in higher fracture toughness than the stress-relieved condition. The root-causes of the lower fracture toughness of the stress-relieved LPBF 316H material was informed via a stress-relief optimization study on a scaled concept laser print, where it was found that although dislocation recovery was largely complete after only a couple hours at 650°C, the extended hold of the current 24h heat treatment employed on scaled builds likely caused increased carbide volume fractions along the LPBF 316H grain boundaries, thereby deteriorating crack propagation resistance. This trend was seen to become more deleterious with additional increases of stress-relief temperature to 750°C or 850°C. These results have helped inform a new optimal stress-relief annealing condition for LPBF 316H for future campaign testing (650°C for 2h).
36 MATERIALS SCIENCE↗
Efficient Modeling of Structural, Electronic, and Optical Properties of Silver and Gold Metal Nanoclusters and Alloys Using Optimized SCC-DFTB Parameters
Computation of optical properties using conventional time-dependent density functional theory (TD-DFT) is time-consuming and memory-intensive. In this study, we investigate the accuracy and efficiency of the density functional tight binding (DFTB) framework with newly optimized Slater–Koster (SK) parameters for modeling the structural, electronic properties, and absorption spectra of silver and gold nanoclusters and their alloys. Our investigation of the ground state (GS) properties demonstrates that the newly developed GS-SK parameters enable DFTB to closely approximate DFT-calculated bond lengths for octahedron, tetrahedron, icosahedra, and truncated octahedron with sizes Ag n /Au n (n = 19, 20, 38, 55), nanoclusters and Ag 20 /Au 20 nanoalloys, with a maximum deviation of approximately 0.15 Å. Formation energy results indicate that the GS-SK parameters can closely estimate changes in formation energies with alloy composition, and the comparison of electronic structures for Ag 20 , Au 20 , and AgAu alloy nanoclusters using the DFTB approximation reveals good agreement in the projected density of states (DOS) profiles and energy levels. A second set of SK parameters, ES-SK, has been developed to describe excited state (ES) properties, including the absorption spectra of silver octahedron Ag 19 , tetrahedral Ag n (n = 20, 56, 84), truncated octahedron Ag 38 , and icosahedra Ag 55 closed-shell clusters and their gold and alloy counterparts over a broad range of alloy compositions. This parametrization uses TD-DFTB calculations and fine-tunes the d and p eigenvalues by comparing them to reference absorption spectra from first-principles TD-DFT. This enables the generation of absorption spectra that closely match the reference spectra when plasmon excitation is dominant, as demonstrated by studying the plasmonic properties of icosahedral Ag n and Au n (n = 309 and 561) nanoparticles. This includes the rapid loss in plasmon quality when Au partially replaces Ag in alloy clusters. Furthermore, these results provide a foundation for addressing computational bottlenecks in plasmonics and with new prospects for applications in the quantum plasmonics for bimetallic alloys.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Hybrid computer optimization of systems with random parameters
A hybrid computer Monte Carlo technique for the simulation and optimization of systems with random parameters is presented. The method is applied to the simultaneous optimization of the means and variances of two parameters in the radar-homing missile problem treated by McGhee and Levine.
White, R. C., Jr.↗
Calculated performance, stability, and maneuverability of high speed tilting proprotor aircraft
The feasibility of operating tilting proprotor aircraft at high speeds is examined by calculating the performance, stability, and maneuverability of representative configurations. The rotor performance is examined in high speed cruise and in hover. The whirl flutter stability of the coupled wing and rotor motion is calculated in cruise. Maneuverability is examined in terms of the rotor thrust limit during turns in helicopter configuration. Rotor airfoils, rotor hub configuration, wing airfoil, and airframe structural weights representative of demonstrated advanced technology are considered. Key rotor and airframe parameters are optimized for high speed performance and stability. The basic aircraft design parameters are optimized for minimum gross weight. To provide a focus for the calculations, two high speed tiltrotor aircraft are considered: a 46-passenger civil transport and an air-combat/escort fighter, both with design speeds of about 400 knots. It is concluded that such high speed tiltrotor aircraft are quite practical.
Johnson, Wayne↗
Planet geometric center tracker. Volume 2 - Scan optimization study
Parameters are defined for output waveforms used in scan patterns for locating geometric rather than luminous centers of planets
Kraemer, A. R.↗
Hybrid-computer optimization of systems with random parameters
Hybrid computer Monte Carlo technique for simulation and optimization of system with random parameters
White, R. C., Jr.↗
Non-smooth Bayesian optimization in tuning scientific applications
Tuning algorithmic parameters to optimize the performance of large, complicated computational codes is an important problem involving finding the optima and identifying regimes defined by non-smooth boundaries in black-box functions. Within the Bayesian optimization framework, the Gaussian process surrogate model produces smooth mean functions, but functions in the tuning problem are often non-smooth, which is exacerbated by the fact that we usually have limited sequential samples from the black-box function. Here, motivated by these issues encountered in tuning, we propose a novel Gaussian process model called a clustered Gaussian process (cGP), where the components are dynamically updated by clustering. In our studies, the performance of cGP can be better than stationary GPs in nearly 90% of the experiments and better than non-stationary GPs in nearly 70% of the repeated experiments while requiring less computational cost. cGP provides a novel approach for dynamic GP, computes more efficiently than recursive partitioning, and discovers non-smoothness regimes. We provide extensive experiments including high-performance computing (HPC) and industrial simulation functions to show the effectiveness of our methods.
97 MATHEMATICS AND COMPUTING↗
Calculated performance, stability and maneuverability of high-speed tilting-prop-rotor aircraft
The feasibility of operating tilting-prop-rotor aircraft at high speeds is examined by calculating the performance, stability, and maneuverability of representative configurations. The rotor performance is examined in high-speed cruise and in hover. The whirl-flutter stability of the coupled-wing and rotor motion is calculated in the cruise mode. Maneuverability is examined in terms of the rotor-thrust limit during turns in helicopter configuration. Rotor airfoils, rotor-hub configuration, wing airfoil, and airframe structural weights representing demonstrated advance technology are discussed. Key rotor and airframe parameters are optimized for high-speed performance and stability. The basic aircraft-design parameters are optimized for minimum gross weight. To provide a focus for the calculations, two high-speed tilt-rotor aircraft are considered: a 46-passenger, civil transport and an air-combat/escort fighter, both with design speeds of about 400 knots. It is concluded that such high-speed tilt-rotor aircraft are quite practical.
Johnson, Wayne↗
Calculated performance, stability, and maneuverability of high-speed tilting-prop-rotor aircraft
The feasability of operating tilting-prop-rotor aircraft at high speeds is examined by calculating the performance, stability, and maneuverability of representative configurations. The rotor performance is examined in high-speed cruise and in hover. The whirl-flutter stability of the coupled-wing and rotor motion is calculated in the cruise mode. Maneuverability is examined in terms of the rotor-thrust limit during turns in helicopter configuration. Rotor airfoils, rotor-hub configuration, wing airfoil, and airframe structural weights representing demonstrated advanced technology are discussed. Key rotor and airframe parameters are optimized for high-speed performance and stability. The basic aircraft-design parameters are optimized for minimum gross weight. To provide a focus for the calculations, two high-speed tilt-rotor aircraft are considered: a 46-passenger, civil transport and an air-combat/escort fighter, both with design speeds of about 400 knots. It is concluded that such high-speed tilt-rotor aircraft are quite practical.
Johnson, Wayne↗
Multistart algorithm for identifying all optima of nonconvex stochastic functions
Here, we propose a multistart algorithm to identify all local minima of a constrained, nonconvex stochastic optimization problem. The algorithm uniformly samples points in the domain and then starts a local stochastic optimization run from any point that is the "probabilistically best" point in its neighborhood. Under certain conditions, our algorithm is shown to asymptotically identify all local optima with high probability; this holds even though our algorithm is shown to almost surely start only finitely many local stochastic optimization runs. We demonstrate the performance of an implementation of our algorithm on nonconvex stochastic optimization problems, including identifying optimal variational parameters for the quantum approximate optimization algorithm.
97 MATHEMATICS AND COMPUTING↗