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At least 1,261 records · Page 70

Optimization of composite box-beam structures including effects of subcomponent interactions

Minimum mass designs are obtained for a simple box beam structure subject to bending, torque and combined bending/torque load cases. These designs are obtained subject to point strain and linear buckling constraints. The present work differs from previous efforts in that special attention is payed to including the effects of subcomponent panel interaction in the optimal design process. Two different approaches are used to impose the buckling constraints. When the global approach is used, buckling constraints are imposed on the global structure via a linear eigenvalue analysis. This approach allows the subcomponent panels to interact in a realistic manner. The results obtained using this approach are compared to results obtained using a traditional, less expensive approach, called the local approach. When the local approach is used, in-plane loads are extracted from the global model and used to impose buckling constraints on each subcomponent panel individually. In the global cases, it is found that there can be significant interaction between skin, spar, and rib design variables. This coupling is weak or nonexistent in the local designs. It is determined that weight savings of up to 7% may be obtained by using the global approach instead of the local approach to design these structures. Several of the designs obtained using the linear buckling analysis are subjected to a geometrically nonlinear analysis. For the designs which were subjected to bending loads, the innermost rib panel begins to collapse at less than half the intended design load and in a mode different from that predicted by linear analysis. The discrepancy between the predicted linear and nonlinear responses is attributed to the effects of the nonlinear rib crushing load, and the parameter which controls this rib collapse failure mode is shown to be the rib thickness. The rib collapse failure mode may be avoided by increasing the rib thickness above the value obtained from the (linear analysis based) optimizer. It is concluded that it would be necessary to include geometric nonlinearities in the design optimization process if the true optimum in this case were to be found.

Ragon, Scott A.↗

Efficient kinetic thermal inverse modeling for organic material decomposition

The prevalent use of organic materials in manufacturing is a fire safety concern, and motivates the need for predictive thermal decomposition models. A critical component of predictive modeling is numerical inference of kinetic parameters from bench scale data. Currently, an active area of computational pyrolysis research focuses on identifying efficient, robust methods for optimization. This paper demonstrates that kinetic parameter calibration problems can successfully be solved using classical gradient-based optimization. We explore calibration examples that exhibit characteristics of concern: high nonlinearity, high dimensionality, complicated schemes, overlapping reactions, noisy data, and poor initial guesses. The examples demonstrate that a simple, non-invasive change to the problem formulation can simultaneously avoid local minima, avoid computation of derivative matrices, achieve a computational efficiency speedup of 10x, and make optimization robust to perturbations of parameter components. Techniques from the mathematical optimization and inverse problem communities are employed. By re-examining gradient-based algorithms, we highlight opportunities to develop kinetic parameter calibration methods that should outperform current methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A robust model predictive control algorithm for uncertain nonlinear systems that guarantees resolvability

A robustly stabilizing MPC (model predictive control) algorithm for uncertain nonlinear systems is developed that guarantees resolvability. With resolvability, initial feasibility of the finite-horizon optimal control problem implies future feasibility in a receding-horizon framework. The control consists of two components; (i) feed-forward, and (ii) feedback part. Feed-forward control is obtained by online solution of a finite-horizon optimal control problem for the nominal system dynamics. The feedback control policy is designed off-line based on a bound on the uncertainty in the system model. The entire controller is shown to be robustly stabilizing with a region of attraction composed of initial states for which the finite-horizon optimal control problem is feasible. The controller design for this algorithm is demonstrated on a class of systems with uncertain nonlinear terms that have norm-bounded derivatives and derivatives in polytopes. An illustrative numerical example is also provided.

feed - forward↗

Semi-analytical sensitivity analysis for nonlinear transient problems

Efficient analytical sensitivity computations are essential elements of gradient-based optimization schemes; however, they can be difficult to implement. This implementation issue is often resolved by adopting the semi-analytical method which exhibits the efficiency of the analytical methods and the ease of implementation of the finite difference method. However, care must be taken as semi-analytical sensitivities may exhibit errors due to truncation and round-off. Additional errors are introduced if the convergence tolerance of the primal analysis is not sufficiently small. This paper gives a general overview and some new developments of the analytical and semi-analytical sensitivity analyses for nonlinear steady-state, transient, and dynamic problems. We discuss the restrictive assumptions, accuracy, and consistency of these methods. Both adjoint and direct differentiation methods are studied. Numerical examples are provided.

42 ENGINEERING↗

Influence of reabsorption and reemission on stimulated Raman scattering of polymethine dyes in multiple scattering media

It is shown that reabsorption of the luminescence radiation in the range of its overlapping with the absorption spectrum and the following reemission to a long-wavelength range may noticeably affect the process of stimulated Raman scattering (SRS) in polymethine dyes in multiple scattering media (MSM). This is related to the fact that SRS in such media occurs jointly with the random lasing (RL), which favors SRS and makes up with it a united nonlinear process. Reemission into the long-wavelength spectrum range amplified in MSM causes the RL spectrum to shift to longer wavelengths and initiates the long-wavelength band of RL, in which a main part of the lasing energy is concentrated. This weakens or completely stops the SRS if the band is beyond the range of possible spectral localisation of Stokes lines. This process depends on the efficiency of light scattering, dye concentration, temperature and pump intensity; hence, there exist optimal values of these parameters for obtaining SRS in MSM. (nonlinear optical phenomena)

36 MATERIALS SCIENCE↗

A quasi-Newton approach to optimization problems with probability density constraints

A quasi-Newton method is presented for minimizing a nonlinear function while constraining the variables to be nonnegative and sum to one. The nonnegativity constraints were eliminated by working with the squares of the variables and the resulting problem was solved using Tapia's general theory of quasi-Newton methods for constrained optimization. A user's guide for a computer program implementing this algorithm is provided.

Tapia, R. A.↗

On the combined experimental and theoretical investigations on 3-nitrophenylamine for nonlinear optical applications

Single crystal of 3-Nitrophenylamine (3-NPA) was grown using methanol as solvent by slow evaporation technique. The cell parameters and crystal structure was elucidated by single crystal X-ray diffraction analysis. The laser damage threshold of the title compound was measured using Nd:YAG laser. The second harmonic generation (SHG) nonlinearity was measured using Kurtz-Perry powder technique. The optimized geometry, dipole moment, polarizability and first order hyperpolarizability were obtained by density functional theory (DFT) using 6-31++G (d, p) basis set.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Economic Optimal Control for Minimizing Fuel Consumption of Heavy-Duty Trucks in a Highway Environment

This paper provides a comparative assessment of three economic optimal control strategies, aimed at minimizing the fuel consumption of heavy-duty trucks in a highway environment, under a representative lead vehicle model informed by traffic data. These strategies fuse a global, offline dynamic programming (DP) optimization with online model predictive control (MPC). We then show how two of the three strategies can be adapted to accommodate the presence of traffic and optimally navigate signalized intersections using infrastructure-to-vehicular (I2V) communication. The MPC optimization, which is local in nature, makes refinements to a coarsely (but globally, subject to grid resolution) optimized target velocity profile from the DP optimization. The three candidate economic MPC formulations that are evaluated include: a nonlinear time-based formulation that directly penalizes predicted fuel consumption, a nonlinear time-based formulation that penalizes braking effort as a surrogate for fuel consumption, and a linear distance-based convex formulation that maintains a tradeoff between energy expenditure and tracking of the coarsely optimized velocity profile obtained from DP. Using a medium-fidelity Simulink model, based on a Volvo truck's longitudinal and engine dynamics, we analyze the optimization's performance on four highway routes under various traffic scenarios. Results demonstrate 3.7-8.3% fuel economy improvement on highway routes without traffic and 6.5-10% on the same routes with traffic included. Furthermore, we present a detailed analysis of energy usage by "type" (aerodynamic losses, braking losses, and comparison of brake-specific fuel consumption), under each candidate control strategy.

33 ADVANCED PROPULSION SYSTEMS↗

Multi-objective dynamic aperture optimization for storage rings

We report an efficient dynamic aperture (DA) optimization approach using multiobjective genetic algorithm (MOGA), which is driven by nonlinear driving terms computation. It was found that having small low order driving terms is a necessary but insufficient condition of having a decent DA. Then direct DA tracking simulation is implemented among the last generation candidates to select the best solutions. The approach was demonstrated successfully in optimizing NSLS-II storage ring DA.

43 PARTICLE ACCELERATORS↗

Kinetic turbulence simulations at extreme scale on leadership-class systems

Reliable predictive simulation capability addressing confinement properties in magnetically confined fusion plasmas is critically-important for ITER, a 20 billion dollar international burning plasma device under construction in France. The complex study of kinetic turbulence, which can severely limit the energy confinement and impact the economic viability of fusion systems, requires simulations at extreme scale for such an unprecedented device size. Our newly optimized, global, ab initio particle-in-cell code solving the nonlinear equations underlying gyrokinetic theory achieves excellent performance with respect to "time to solution" at the full capacity of the IBM Blue Gene/Q on 786,432 cores of Mira at ALCF and recently of the 1,572,864 cores of Sequoia at LLNL. Recent multithreading and domain decomposition optimizations in the new GTC-P code represent critically important software advances for modern, low memory per core systems by enabling routine simulations at unprecedented size (130 million grid points ITER-scale) and resolution (65 billion particles).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Gradient-informed Hamiltonian Monte Carlo for multicomponent CALPHAD model optimization and uncertainty quantification

CALPHAD model parameter optimization is inherently challenging due to non-smooth objective functions, high-dimensional parameter spaces, and the need for uncertainty quantification (UQ). Traditional weighted nonlinear least squares approaches are computationally efficient but local, whereas black-box global optimizers and ensemble Markov Chain Monte Carlo (MCMC) methods provide broader exploration at substantial computational cost. The objective of this work is to combine the global exploration capability of gradient-informed Hamiltonian Monte Carlo – specifically the No-U-Turn Sampler (NUTS) – with local deterministic refinement using BFGS to efficiently optimize multicomponent CALPHAD models with minimal manual intervention. Analytic gradients are computed via the Jansson derivative framework. The methodology is demonstrated on the Cr—Fe binary system and extended to the Cr—Fe—Ni ternary system with 32 degrees of freedom. For Cr—Fe, NUTS achieves comparable or superior optimality relative to ensemble MCMC while requiring over an order-of-magnitude fewer likelihood evaluations. Parameter uncertainties are quantified through NUTS sampling and propagated to thermodynamic observables using local expansion, demonstrating a novel modular approach that combines binary and ternary parameter subsets without requiring global relaxation. These results establish gradient-informed exploration as a scalable strategy for multicomponent CALPHAD optimization and provide a practical route towards efficient higher-order database development with quantified uncertainty.

36 MATERIALS SCIENCE↗

Vehicle-to-manufacturing (V2M) system: A novel approach to improve energy demand flexibility for demand response towards sustainable manufacturing

The U.S. manufacturing sector accounts for 77% of the industrial energy consumption, but its participation in demand response (DR) programs is largely lagged behind. The limited flexibility in production scheduling under high capacity utilization and the lack of DR schemes that incorporate energy demand flexibility measures are deemed as major barriers. In this study, a framework of the interactive vehicles-to-manufacturing (V2M) energy sharing system is proposed to improve the energy demand flexibility of the aggregated system and enhance the DR effectiveness for manufacturers. The V2M-based DR scheme aims to reduce the energy cost by load shifting through joint production and energy sharing control, which can eventually promote manufacturing DR implementation even under high capacity utilization requirements and dynamic real-time electricity prices. The V2M system is modeled based on a discrete-Markov chain considering the complex interconnections among various manufacturing resources and multi-directional energy flows among manufacturing facilities, electric vehicles, and the power grid. Based on the system model, a mixed-integer nonlinear programming (MINLP) problem is formulated to identify the optimal DR scheme. The effectiveness of the proposed approach is validated through comparisons with traditional manufacturing DR schemes. Finally, the results show that a 2.1 to 6.5 times energy demand flexibility improvement and an additional 4.7% to 6.9% energy cost reduction can be achieved by the proposed approach.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

An economic analysis of the role of materials, system engineering, and performance in electrochemical carbon dioxide conversion to formate

The development of technologies that utilize carbon dioxide is important to mitigating climate change. The electrochemical reduction of carbon dioxide is one technology that can utilize greenhouse gasses that would be otherwise be emitted to the atmosphere by producing chemicals and fuels from carbon dioxide and electricity. Significant progress has been made in the experimental performance of carbon dioxide reduction systems with novel catalyst designs, new materials, and systems engineering; however, no work has linked such changes in stack design and materials to capital costs for the stack itself. In this study, we present an analysis that accounts for and analyzes the impacts of alternative materials and system architectures on manufactured costs of carbon dioxide reduction stacks, thus providing a framework to understand exactly how these advances impact the at-scale capital costs of these systems. Specifically, we consider the impact that the addition of a catholyte buffer layer has on an electrolyzer reducing carbon dioxide to formate, finding that the cost of manufacturing this part only increases stack costs by about $30/m 2 at high manufacturing rates, while previous work finds that this part improves system performance. This work shows that the links between system performance, materials, and costs are nonlinear, and that achieving low-cost scalability requires optimization of not just performance parameters but also the use of low-cost and highly scalable materials. These results bridge experimental and techno-economic analysis of processes for carbon dioxide reduction, informing researchers by providing a quantifiable estimate of the impact of advances in electrochemical carbon dioxide reduction technology on manufactured stack capital costs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Soft Switching Over the Entire Line Cycle for a Quadruple Active Bridge DCX in a DC to Three-Phase AC Module

This paper is focused on a transformer-isolated quadruple active bridge (QAB) dc-dc converter loaded by three full-bridge dc-ac inverters. The QAB functions as a "DC trans-former" (DCX) in the dc-to-three-phase ac module. The QAB outputs provide time-varying power at twice the line frequency, which presents challenges in maintaining zero voltage switching (ZVS) on the secondary sides during low-power portions of the line cycle. It is shown how ZVS can be achieved in a phase, even at zero-power transfer, using a relatively small circulating current provided by the magnetizing inductance of the high-frequency transformer. The approach is particularly effective in high-voltage applications using SiC MOSFETs, where reductions in switching loss outweigh additional conduction losses due to the circulating currents. A detailed analysis of ZVS switching waveforms at the zero power transfer is presented, including effects of nonlinear device capacitances. Analytical expressions are given for the optimal values of the magnetizing inductance and dead times of the QAB primary and secondary bridges. The approach is verified by experimental results on a 600 V, 4 kW prototype, demonstrating greater than 98.5% efficiency from 1 kW to 4 kW, with a peak efficiency of 99.0%. Compared to conventionally operated prototype, a 54% reduction in total loss is achieved at rated power.

41 EE - Solar Energy Technologies Office (EE-4S)↗

A VSM-Based DER Dispatch MINLP for Volt-VAR Control in Unbalanced Power Distribution Systems

This paper presents an optimal dispatch algorithm to coordinate customer-owned controllable loads and smart solar inverters with utility-owned voltage regulators and capacitors to meet voltage control objectives. The optimization problem is formulated as a mixed-integer nonlinear programming (MINLP) problem. A voltage sensitivity matrix (VSM) is used to linearize the effect of control actions on the voltage at customer nodes when solving the MINLP. The VSM is recalculated at each time step to improve the computational accuracy. Both discrete switching actions of the capacitor and VRs and the continuous adjustment of real and reactive power from load and smart inverters are considered in the MINLP volt-var problem formulation. The objective function minimizes the cost of all control actions and the magnitude of voltage fluctuations from the previous time period. Constraints ensure that the voltage at each node is maintained within ANSI limits and the feeder power factor is controlled within the desired range. The algorithm is tested using an actual 3-phase unbalanced distribution feeder model. Simulation results demonstrate that the proposed algorithm is computationally feasible on real circuits and improves voltage control while minimizing operational costs.

McEntee, Catie↗

A Hierarchical Volt-var Optimization with Discrete Variables in Unbalanced Distribution Systems

This paper proposes a framework to determine the optimal active and reactive power dispatch of distributed photovoltaic (PV) generation, switched capacitors, and voltage regulators in multi-phase unbalanced distribution systems. The objectives of the optimal dispatch are minimization of the energy loss, PV real power curtailment, and switching operations of capacitors and voltage regulators, in addition to elimination of voltage violation and reverse power flow. The optimization problem is formulated in rectangular coordinates as a nonlinear, nonconvex problem with discrete variables. A hierarchical twostage framework is proposed to effectively handle those discrete variables and reduce the computational time compared to the unified approach in which all variables are solved simultaneously. The efficacy of the proposed approach and the accuracy of the obtained numerical solution is validated using the unbalanced multi-phase IEEE 34-bus with 15-minute load and PV data.

Nguyen, Quan H.↗

Deep Reinforcement Learning Based Control of Wind Turbines for Fast Frequency Response

In order to fulfill vital auxiliary grid services, such as load regulation, spin and non-spin reserve provision, and frequency support during emergencies, there is often a requirement for certain wind farms to operate in de-loaded modes. Leveraging the swift response capabilities of wind farms, this study demonstrates that reserving power in de-loaded modes can significantly enhance power grid stability and reliability during system contingencies. Controlling wind farms optimally for frequency support is intricate due to the nonlinearity of models and controllers and the complexity of wind farm interactions with power systems. Here, to address this challenge, this paper introduces a novel approach that integrates wind turbines into reinforcement learning-based solutions for frequency response. This innovative methodology utilizes the state-of-the-art reinforcement learning algorithm known as the surrogate-gradient-based evolutionary strategy. The proposed learning-based algorithm provides continuous control of wind farm output to rapidly stabilize system frequency and prevent unnecessary trips of under-frequency load shedding relays. To facilitate efficient training, parallel computing techniques are employed. The proposed methodology is evaluated on a modified IEEE-39 bus system, and simulation results reveal its efficacy in reliably supporting power system frequency and preventing the need for unnecessary load shedding.

Gao, Wei [Argonne National Laboratory (ANL), Argon↗

Towards reverse mode automatic differentiation of Kokkos-based codes

Derivative computation is a key component of optimization, sensitivity analysis, uncertainty quantification, and the solving of nonlinear problems. Automatic differentiation (AD) is a powerful technique for evaluating such derivatives, and in recent years, has been integrated into programming environments such as Jax, PyTorch, and TensorFlow to support derivative computations needed for training of machine learning models, facilitating wide-spread use of these technologies. The C++ language has become the de facto standard for scientific computing due to numerous factors, yet language complexity has made the wide-spread adoption of AD technologies for C++ difficult, hampering the incorporation of powerful differentiable programming approaches into C++ scientific simulations. This is exacerbated by the increasing emergence of architectures, such as GPUs, with limited memory capabilities and requiring massive thread-level concurrency. C++ AD tools must effectively use these environments to bring novel scientific simulations to next-generation DOE experimental and observational facilities. In this project, we investigated source transformation-based automatic differentiation using LLVM compiler infrastructure to automatically generate portable and efficient gradient computations of Kokkos-based code. We have demonstrated that our proposed strategy is feasible by investigating the usage of a prototype LLVM-based source transformation tool to generate gradients of simple functions made of sequences of simple Kokkos parallel regions. Speedups of up to 500x compared to Sacado were observed on NVIDIA V100 GPU.

97 MATHEMATICS AND COMPUTING↗