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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6

Prevalence and scalable control of localized networks

The ability to control network dynamics is essential for ensuring desirable functionality of many technological, biological, and social systems. Such systems often consist of a large number of network elements, and controlling large-scale networks remains challenging because the computation and communication requirements increase prohibitively fast with network size. Here, we introduce a notion of network locality that can be exploited to make the control of networks scalable, even when the dynamics are nonlinear. We show that network locality is captured by an information metric and is almost universally observed across real and model networks. In localized networks, the optimal control actions and system responses are both shown to be necessarily concentrated in small neighborhoods induced by the information metric. This allows us to develop localized algorithms for determining network controllability and optimizing the placement of driver nodes. This also allows us to develop a localized algorithm for designing local feedback controllers that approach the performance of the corresponding best global controllers, while incurring a computational cost orders-of-magnitude lower. Here, we validate the locality, performance, and efficiency of the algorithms in Kuramoto oscillator networks, as well as three large empirical networks: synchronization dynamics in the Eastern US power grid, epidemic spreading mediated by the global air-transportation network, and Alzheimer’s disease dynamics in a human brain network. Taken together, our results establish that large networks can be controlled with computation and communication costs comparable to those for small networks.

42 ENGINEERING↗

Incorporation of market signals for the optimal design of post combustion carbon capture systems

Recent studies have shown that fossil generators equipped with post-combustion carbon capture (PCC) systems are needed to reduce the cost of deep decarbonization. Such generators need to be flexible and responsive to grid conditions, particularly in a high variable renewable energy (VRE) environment. In this work, we evaluate the net present value (NPV) of retrofitting an existing natural gas combined cycle (NGCC) unit with a flexible PCC system while incorporating market signals from a high VRE grid. We use our industrial partner’s NGCC configuration as representative of existing NGCC units and Svante’s rapid-temperature swing adsorption (TSA) for PCC. Because of its ability to rapidly startup/shutdown and ramp-up/ramp-down, the chosen capture technology is very attractive for load-following operations. For a given set of market signals, we formulate a two-stage stochastic multi-period optimization problem, under the price-taker assumption, to simultaneously optimize the design of the capture system and operation of the entire plant. Rigorous models for the NGCC unit, PCC system, and compression system are developed using commercial process simulators and validated with either plant or vendor data. For computational tractability, we develop surrogate/reduced-order models for use in the optimization problem. The surrogate model for the NGCC plant is constructed by linearizing the rigorous dynamic model at 75% load, while data-driven nonlinear surrogate models for the capture and compression systems are constructed using simulation data from the rigorous models. The optimization problem, formulated as a mixed integer bilinear program, is implemented in the IDAES® integrated platform and solved to global optimality using Gurobi 9.5. Using this formulation, we determine the profitability of retrofitting an existing NGCC unit with the chosen capture system for multiple regions in the U.S. under two scenarios with different carbon prices. Importantly, the results show that the optimal decision strongly depends on the region and on the carbon price, thereby demonstrating the importance of the inclusion of market signals in the design process.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Improvements to a method for the geometrically nonlinear analysis of compressively loaded stiffened composite panels

The NLPAN computer code uses a finite-strip approach to the analysis of thin-walled prismatic composite structures such as stiffened panels. The code can model in-plane axial loading, transverse pressure loading, and constant through-the-thickness thermal loading, and can account for shape imperfections. The NLPAN code represents an attempt to extend the buckling analysis of the VIPASA computer code into the geometrically nonlinear regime. Buckling mode shapes generated using VIPASA are used in NLPAN as global functions for representing displacements in the nonlinear regime. While the NLPAN analysis is approximate in nature, it is computationally economical in comparison with finite-element analysis, and is thus suitable for use in preliminary design and design optimization. A comprehensive description of the theoretical approach of NLPAN is provided. A discussion of some operational considerations for the NLPAN code is included. NLPAN is applied to several test problems in order to demonstrate new program capabilities, and to assess the accuracy of the code in modeling various types of loading and response. User instructions for the NLPAN computer program are provided, including a detailed description of the input requirements and example input files for two stiffened-panel configurations.

Stoll, Frederick↗

Conservative Numerical Schemes with Optimal Dispersive Wave Relations: Part II. Numerical Evaluations

A new energy and enstrophy conserving scheme (EEC) for the shallow water equations is proposed and evaluated using a suite of test cases over the global spherical or bounded domain. The evaluation is organized around a set of pre-defined properties: accuracy of individual operators, accuracy of the whole scheme, conservation of key quantities, control of the divergence variable, representation of the energy and enstrophy spectra, and simulation of nonlinear dynamics. The results confirm that the scheme is between the first and second order accurate, and conserves the total energy and potential enstrophy up to the time truncation errors. Here, the scheme is capable of producing more physically realistic energy and enstrophy spectra, indicating that it can help prevent the unphysical energy cascade towards the finest resolvable scales. With an optimal representation of the dispersive wave relations, the scheme is able to keep the flow close to being non-divergent, and maintain the geostrophically balanced structures with large-scale geophysical flows over long-term simulations.

54 ENVIRONMENTAL SCIENCES↗

Koopman-Based Approach to Nonintrusive Reduced Order Modeling: Application to Aerodynamic Shape Optimization and Uncertainty Propagation

A methodology for nonintrusive projection-based nonlinear model reduction originally presented by Renganathan et al. is further extended here toward parametric systems with a focus on application to aerospace design. Specifically, the method is extended to address static systems with parametric geometry (that deforms the mesh) in addition to parametric freestream boundary conditions. The main idea is to first perform a transformation on the governing equations such that it is lifted to a higher-dimensional but linear underdetermined system. This enables one to extract the system matrices easily as compared to that of the original nonlinear system. The underdetermined system is closed with a set of model-dependent nonlinear constraints upon which the model reduction is finally performed. The methodology is validated on the subsonic and transonic inviscid flows past the NACA0012 and the RAE2822 airfoils with parametrized shapes. The utility of the approach is further demonstrated by applying it to two common problems in aerospace design, namely, derivative-free global optimization and parametric uncertainty quantification with Monte Carlo sampling. Overall, the methodology is shown to achieve accuracy up to 5% and computational speedup of two to three orders of magnitude relative to the full order model. Comparison against another nonintrusive model reduction method revealed that the proposed approach is more robust, accurate, and retains the consistency between the state variables.

97 MATHEMATICS AND COMPUTING↗

Optimal control of anthropogenic carbon dioxide emissions through technological options: a modeling study

The anthropogenic emission of carbon dioxide (CO{sub 2}) is the prime culprit for the menace of global warming. To achieve the goal of mitigation of global warming, it is crucial to curb the anthropogenic carbon dioxide emissions. The prime anthropogenic source of CO{sub 2} is fossil fuel burning. In this paper, we propose a nonlinear mathematical model to study the impact of technological options, used for the reduction of CO{sub 2} emissions from fossil fuel burning and industrial processes, on the control of atmospheric CO{sub 2}. In the modeling process, it is assumed that the technological options are implemented to curb the CO{sub 2} emissions from the source at a rate proportional to the anthropogenic CO{sub 2} emissions. Model analysis reveals that the atmospheric level of CO{sub 2} can be effectively reduced by increasing the implementation rate of technological options and their efficiency. The strategies which optimally reduce atmospheric CO{sub 2} levels while minimizing the cost associated with the implementation of technological options are identified using optimal control theory. Numerical simulation has been carried out to illustrate theoretical results.

54 ENVIRONMENTAL SCIENCES↗

Stochastic Methods for Aircraft Design

The global stochastic optimization method, simulated annealing (SA), was adapted and applied to various problems in aircraft design. The research was aimed at overcoming the problem of finding an optimal design in a space with multiple minima and roughness ubiquitous to numerically generated nonlinear objective functions. SA was modified to reduce the number of objective function evaluations for an optimal design, historically the main criticism of stochastic methods. SA was applied to many CFD/MDO problems including: low sonic-boom bodies, minimum drag on supersonic fore-bodies, minimum drag on supersonic aeroelastic fore-bodies, minimum drag on HSCT aeroelastic wings, FLOPS preliminary design code, another preliminary aircraft design study with vortex lattice aerodynamics, HSR complete aircraft aerodynamics. In every case, SA provided a simple, robust and reliable optimization method which found optimal designs in order 100 objective function evaluations. Perhaps most importantly, from this academic/industrial project, technology has been successfully transferred; this method is the method of choice for optimization problems at Northrop Grumman.

Pelz, Richard B.↗

Computation of optimal output-feedback compensators for linear time-invariant systems

The control of linear time-invariant systems with respect to a quadratic performance criterion was considered, subject to the constraint that the control vector be a constant linear transformation of the output vector. The optimal feedback matrix, f*, was selected to optimize the expected performance, given the covariance of the initial state. It is first shown that the expected performance criterion can be expressed as the ratio of two multinomials in the element of f. This expression provides the basis for a feasible method of determining f* in the case of single-input single-output systems. A number of iterative algorithms are then proposed for the calculation of f* for multiple input-output systems. For two of these, monotone convergence is proved, but they involve the solution of nonlinear matrix equations at each iteration. Another is proposed involving the solution of Lyapunov equations at each iteration, and the gradual increase of the magnitude of a penalty function. Experience with this algorithm will be needed to determine whether or not it does, indeed, possess desirable convergence properties, and whether it can be used to determine the globally optimal f*.

Platzman, L. K.↗

Application of an Optimal Tuner Selection Approach for On-Board Self-Tuning Engine Models

An enhanced design methodology for minimizing the error in on-line Kalman filter-based aircraft engine performance estimation applications is presented in this paper. It specific-ally addresses the under-determined estimation problem, in which there are more unknown parameters than available sensor measurements. This work builds upon an existing technique for systematically selecting a model tuning parameter vector of appropriate dimension to enable estimation by a Kalman filter, while minimizing the estimation error in the parameters of interest. While the existing technique was optimized for open-loop engine operation at a fixed design point, in this paper an alternative formulation is presented that enables the technique to be optimized for an engine operating under closed-loop control throughout the flight envelope. The theoretical Kalman filter mean squared estimation error at a steady-state closed-loop operating point is derived, and the tuner selection approach applied to minimize this error is discussed. A technique for constructing a globally optimal tuning parameter vector, which enables full-envelope application of the technology, is also presented, along with design steps for adjusting the dynamic response of the Kalman filter state estimates. Results from the application of the technique to linear and nonlinear aircraft engine simulations are presented and compared to the conventional approach of tuner selection. The new methodology is shown to yield a significant improvement in on-line Kalman filter estimation accuracy.

Simon, Donald L.↗

Data-Driven Robust M-LS-SVR-Based NARX Modeling for Estimation and Control of Molten Iron Quality Indices in Blast Furnace Ironmaking

Optimal operation of an industrial blast furnace (BF) ironmaking process largely depends on a reliable measurement of molten iron quality (MIQ), which is not feasible using the conventional sensors. This paper proposes a novel data-driven robust modeling method for online estimation and control of MIQ indices. First, to completely capture the nonlinear dynamics of the BF process, the nonlinear autoregressive exogenous (NARX) model is constructed for the MIQ indices. Then, considering that the standard least-squares support vector regression (LS-SVR) cannot directly cope with the multi-output problem, the multi- task transfer learning is proposed to design a novel multi-output LS-SVR (M-LS-SVR) for learning of the NARX model. Furthermore, a novel M-estimator is proposed to reduce the interference of outliers and improve the robustness of the M-LS- SVR model. Since the weights of different outlier data are properly given by the weight function, their corresponding contributions on modeling can be properly distinguished, thus a robust modeling result can be achieved. Finally, a novel multi- objective evaluation index on modeling performance is developed by comprehensively considering the root mean square error of modeling and the correlation coefficient on trend fitting, based on which the NSGA-II algorithm is used to globally optimize the model parameters. Both experiments using industrial data and industrial applications illustrate that the proposed method can eliminate the adverse effect caused by the fluctuation of data in BF process efficiently, which indicates its stronger robustness and higher accuracy. Moreover, control testing shows that the developed model can be well applied to realize data-driven control of the BF process.

blast cavities, Control↗

Sequence of polyhedral relaxations for nonlinear univariate functions

Here, given a nonlinear, univariate, bounded, and differentiable function f(x), this article develops a sequence of Mixed Integer Linear Programming (MILP) and Linear Programming (LP) relaxations that converge to the graph of f(x) and its convex hull, respectively. Theoretical convergence of the sequence of relaxations to the graph of the function and its convex hull is established. For nonlinear non-convex optimization problems, the relaxations presented in this article can be used to construct tight MILP and LP relaxations. These MILP and the LP relaxations can also be used with MILP-based and spatial branch-and-bound based global optimization algorithms, respectively.

42 ENGINEERING↗

A new modified BFGS method for unconstrained optimization problems

Using chain rule, we propose a modified secant equation to get a more accurate approximation of the second curvature of the objective function. Then, based on this modified secant equation we present a new BFGS method for solving unconstrained optimization problems. The proposed method makes use of both gradient and function values, and utilizes information from two most recent steps, while the usual secant relation uses only the latest step information. Under appropriate conditions, we show that the proposed method is globally convergent without convexity assumption on the objective function. Comparative numerical results show computational efficiency of the proposed method in the sense of the Dolan–Moré performance profiles.

97 MATHEMATICS AND COMPUTING↗

A global stochastic programming approach for the optimal placement of gas detectors with nonuniform unavailabilities

Optimal design of a gas detection systems is challenging because of the numerous sources of uncertainty, including weather and environmental conditions, leak location and characteristics, and process conditions. Rigorous CFD simulations of dispersion scenarios combined with stochastic programming techniques have been successfully applied to the problem of optimal gas detector placement; however, rigorous treatment of sensor failure and nonuniform unavailability has received less attention. To improve reliability of the design, this paper proposes a problem formulation that explicitly considers nonuniform unavailabilities and all backup detection levels. The resulting sensor placement problem is a large-scale mixed-integer nonlinear programming (MINLP) problem that requires a tailored solution approach for efficient solution. We have developed a multitree method which depends on iteratively solving a sequence of upper-bounding master problems and lower-bounding subproblems. The tailored global solution strategy is tested on a real data problem and the encouraging numerical results indicate that our solution framework is promising in solving sensor placement problems. This study was selected for the special issue in JLPPI from the 2016 International Symposium of the MKO Process Safety Center.

47 OTHER INSTRUMENTATION↗

On the utilization of engineering knowledge in design optimization

Some current research work conducted at the University of Michigan is described to illustrate efforts for incorporating knowledge in optimization in a nontraditional way. The incorporation of available knowledge in a logic structure is examined in two circumstances. The first examines the possibility of introducing global design information in a local active set strategy implemented during the iterations of projection-type algorithms for nonlinearly constrained problems. The technique used algorithms for nonlinearly constrained problems. The technique used combines global and local monotinicity analysis of the objective and constraint functions. The second examines a knowledge-based program which aids the user to create condigurations that are most desirable from the manufacturing assembly viewpoint. The data bank used is the classification scheme suggested by Boothroyd. The important aspect of this program is that it is an aid for synthesis intended for use in the design concept phase in a way similar to the so-called idea-triggers in creativity-enhancement techniques like brain-storming. The idea generation, however, is not random but it is driven by the goal of achieving the best acceptable configuration.

Papalambros, P.↗

Machine Learning-Guided Approach for Studying Solvation Environments

Molecular-level understanding and characterization of solvation environments are often needed across chemistry, biology, and engineering. Toward practical modeling of local solvation effects of any solute in any solvent, in this work, we report a static and all-quantum mechanics-based cluster-continuum approach for calculating single-ion solvation free energies. This approach uses a global optimization procedure to identify low-energy molecular clusters with different numbers of explicit solvent molecules and then employs the smooth overlap for atomic positions learning kernel to quantify the similarity between different low-energy solute environments. From these data, we use sketch maps, a nonlinear dimensionality reduction algorithm, to obtain a two-dimensional visual representation of the similarity between solute environments in differently sized microsolvated clusters. After testing this approach on different ions having charges 2+, 1+, 1–, and 2–, we find that the solvation environment around each ion can be seen to usually become more similar in hand with its calculated single-ion solvation free energy. Without needing either dynamics simulations or an a priori knowledge of local solvation structure of the ions, this approach can be used to calculate solvation free energies within 5% of experimental measurements for most cases, and it should be transferable for the study of other systems where dynamics simulations are not easily carried out.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Local chromatic correction optics for Future Circular Collider e + e −

Local chromatic correction optics are proposed for the Future Circular e + − e − Collider. These new optics assume an identical layout of the magnets at all operation energies and include a new design for the arcs, for the straight sections, and for the final focus. The arcs design is a step forward from the classic FODO lattice that achieves near cancellation up to the fourth order of chromatic and geometric aberrations. Straight sections and the final focus benefit from the application of transparency conditions and are thus minimally impacting the global beam dynamics. The final focus design includes both vertical and horizontal chromaticity correction sections, crab sextupoles, and additional specific sextupoles and decapoles for the optimization of the dynamics off-energy. Decapoles are very effective in mitigating the reduction of dynamic aperture due to synchrotron radiation. Nonlinear magnet settings are further optimized with multiobjective algorithms. The overall properties of the new optics proposed are analyzed in the presence of errors and compared to other optics designs.

43 PARTICLE ACCELERATORS↗

Neural Networks to Find the Optimal Forcing for Offsetting the Anthropogenic Climate Change Effects

Abstract Of great relevance to climate engineering is the systematic relationship between the radiative forcing to the climate system and the response of the system, a relationship often represented by the linear response function (LRF) of the system. However, estimating the LRF often becomes an ill-posed inverse problem due to high-dimensionality and nonunique relationships between the forcing and response. Recent advances in machine learning make it possible to address the ill-posed inverse problem through regularization and sparse system fitting. Here, we develop a convolutional neural network (CNN) for regularized inversion. The CNN is trained using the surface temperature responses from a set of Green’s function perturbation experiments as imagery input data together with data sample densification. The resulting CNN model can infer the forcing pattern responsible for the temperature response from out-of-sample forcing scenarios. This promising proof of concept suggests a possible strategy for estimating the optimal forcing to negate certain undesirable effects of climate change. The limited success of this effort underscores the challenges of solving an inverse problem for a climate system with inherent nonlinearity. Significance Statement Predicting the climate response for a given climate forcing is a direct problem, while inferring the forcing for a given desired climate response is often an inverse, ill-posed, problem, posing a new challenge to the climate community. This study makes the first attempt to infer the radiative forcing for a given target pattern of global surface temperature response using a deep learning approach. The resulting deeply trained convolutional neural network inversion model shows promise in capturing the forcing pattern corresponding to a given surface temperature response, with a significant implication on the design of an optimal solar radiation management strategy for curbing global warming. This study also highlights the technical challenges that future research should prioritize in seeking feasible solutions to the inverse climate problem.

Ren, Huiying↗

A unified funnel restoration SQP algorithm

We consider nonlinearly constrained optimization problems and discuss a generic double-loop framework consisting of basic algorithmic ingredients that unifies a broad range of nonlinear optimization solvers. This framework has been implemented in the open-source solver Uno, a Swiss Army knife-like C++ optimization framework that unifies many nonlinearly constrained nonconvex optimization solvers. We illustrate the framework with a sequential quadratic programming (SQP) algorithm that maintains an acceptable upper bound on the constraint violation, called a funnel, that is monotonically decreased to control the feasibility of the iterates. Infeasible quadratic subproblems are handled by a feasibility restoration strategy. Globalization is controlled by a line search or a trust-region method. We prove global convergence of the trust-region funnel SQP method, building on known results from filter methods. We implement the algorithm in Uno, and we provide extensive test results for the trust-region line-search funnel SQP on small CUTEst instances.

Kiessling, David [Katholieke Univ. Leuven, Heverle↗