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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 775 records · Page 43

Simulation to Support Local Search in Trajectory Optimization Planning

NASA and the international community are investing in the development of a commercial transportation infrastructure that includes the increased use of rotorcraft, specifically helicopters and civil tilt rotors. However, there is significant concern over the impact of noise on the communities surrounding the transportation facilities. One way to address the rotorcraft noise problem is by exploiting powerful search techniques coming from artificial intelligence coupled with simulation and field tests to design low-noise flight profiles which can be tested in simulation or through field tests. This paper investigates the use of simulation based on predictive physical models to facilitate the search for low-noise trajectories using a class of automated search algorithms called local search. A novel feature of this approach is the ability to incorporate constraints directly into the problem formulation that addresses passenger safety and comfort.

Morris, Robert A.↗

Implementation and evaluation of the unified stomatal optimization approach in the Functionally Assembled Terrestrial Ecosystem Simulator (FATES)

Abstract. Stomata play a central role in regulating the exchange of carbon dioxide and water vapor between ecosystems and the atmosphere. Their function is represented in land surface models (LSMs) by conductance models. The Functionally Assembled Terrestrial Ecosystem Simulator (FATES) is a dynamic vegetation demography model that can simulate both detailed plant demographic and physiological dynamics. To evaluate the effect of stomatal conductance model formulation on forest water and carbon fluxes in FATES, we implemented an optimality-based stomatal conductance model – the Medlyn (MED) model – that simulates the relationship between photosynthesis (A) and stomatal conductance to water vapor (gsw) as an alternative to the FATES default Ball–Woodrow–Berry (BWB) model. To evaluate how the behavior of FATES is affected by stomatal model choice, we conducted a model sensitivity analysis to explore the response of gsw to climate forcing, including atmospheric CO2 concentration, air temperature, radiation, and vapor pressure deficit in the air (VPDa). We found that modeled gsw values varied greatly between the BWB and MED formulations due to the different default stomatal slope parameters (g1). After harmonizing g1 and holding the stomatal intercept parameter (g0) constant for both model formulations, we found that the divergence in modeled gsw was limited to conditions when the VPDa exceeded 1.5 kPa. We then evaluated model simulation results against measurements from a wet evergreen forest in Panama. Results showed that both the MED and BWB model formulations were able to capture the magnitude and diurnal changes of measured gsw and A but underestimated both by about 30 % when the soil was predicted to be very dry. Comparison of modeled soil water content from FATES to a reanalysis product showed that FATES captured soil drying well, but translation of drying soil to modeled physiology reduced the models' ability to match observations. Our study suggests that the parameterization of stomatal conductance models and current model response to drought are the critical areas for improving model simulation of CO2 and water fluxes in tropical forests.

54 ENVIRONMENTAL SCIENCES↗

Artificial Intelligence-Aided Wind Plant Optimization for Nationwide Evaluation of Land Use and Economic Benefits of Wake Steering

If clean energy pathways are to harness massive increases in wind power, innovations with broad geographic viability will be needed to support buildout in diverse locations. However, geodiversity in impact potential is seldom captured in technology assessment. Here we propose a scalable approach to plant-level optimization using artificial intelligence to evaluate land sparing and economic benefits of wake steering at more than 6,800 plausible onshore wind locations in the USA. This emerging controls strategy optimizes plant energy production by directing turbine wakes. On the basis of estimates from our artificial intelligence model trained on engineering wind flow simulations, co-optimizing plant layouts with wake steering can reduce land requirements by an average of 18% per plant (site-specific benefits range from 2% to 34%), subject to errors and uncertainties in the flow model, wind resource estimates, buildout scenario and geographic factors. According to model estimates, wake steering is predicted to increase power production during high-value (relatively low wind) periods, boosting the annual revenue of individual plants by up to US$3.7 million (equivalent to US$13,000 MW-1 yr-1) but producing negligible gains in some settings. Consideration of wake steering’s geographic potential reveals divergent nationwide prospects for improved economics and siting flexibility.

deployment↗

Phase-field predictions of the influence of cooling rates during AM on the Evolution of Microstructures in Nickel-Based Single Crystal Superalloys

Additive manufacturing of single crystals made of Ni-based superalloys offers major cost savings for gas turbine engines with the inclusion of internal cooling channels. However, the lack of understanding of the effect of transient thermal conditions on solidification grain structure during additive manufacturing hinders the potential for process control to maintain the single crystal quality. The use of high-fidelity simulations through high performance computing to predict the evolution of the solidification microstructure will enhance the abilities to tailor the microstructures through process optimization. Phase field simulations are used to determine the effect local thermal conditions and defects on the stability of the solidification morphology, specifically with respect to the onset of columnar-to-equiaxed transition that results in the loss of the single crystal. The results are expected to be instrumental for developing future surrogate models to speed up the integration of design and manufacturing of turbine blades under the harsh in-service conditions.

36 MATERIALS SCIENCE↗

Animation of multi-flexible body systems and its use in control system design

Animation can greatly assist the structural dynamicist and control system analyst with better understanding of how multi-flexible body systems behave. For multi-flexible body systems, the structural characteristics (mode frequencies, mode shapes, and damping) change, sometimes dramatically with large angles of rotation between bodies. With computer animation, the analyst can visualize these changes and how the system responds to active control forces and torques. A characterization of the type of system we wish to animate is presented. The lack of clear understanding of the above effects was a key element leading to the development of a multi-flexible body animation software package. The resulting animation software is described in some detail here, followed by its application to the control system analyst. Other applications of this software can be determined on an individual need basis. A number of software products are currently available that make the high-speed rendering of rigid body mechanical system simulation possible. However, such options are not available for use in rendering flexible body mechanical system simulations. The desire for a high-speed flexible body visualization tool led to the development of the Flexible Or Rigid Mechanical System (FORMS) software. This software was developed at the Center for Simulation and Design Optimization of Mechanical Systems at the University of Iowa. FORMS provides interactive high-speed rendering of flexible and/or rigid body mechanical system simulations, and combines geometry and motion information to produce animated output. FORMS is designed to be both portable and flexible, and supports a number of different user interfaces and graphical display devices. Additional features have been added to FORMS that allow special visualization results related to the nature of the flexible body geometric representations.

Juengst, Carl↗

Computational Fluid Dynamic Optimization of an Experimental Rotating Detonation Rocket Engine Nozzle

A parametric optimization study is performed on the nozzle of a laboratory rotating detonation rocket engine (RDRE) using a three-dimensional computational fluid dynamic simulation. The primary optimization objective is maximum nozzle thrust. The basic nozzle configuration is a shrouded, truncated plug. The fluid in the RDRE chamber leading to the nozzle is choked at its exit so that its cyclic behavior is unaffected by any changes to the nozzle design. Optimization is performed for a single operating point. Parameters varied are the overall nozzle area expansion ratio and the fraction of the expansion area that is provided by the shroud. These two parameters indirectly affect the angle of the plug nozzle cone, and the bluff body area associated with its truncation. Nozzle thrust is evaluated as the difference between the thrust of the RDRE chamber-plus-nozzle combination and that of the chamber alone. The nozzle produces approximately 20% of the total engine thrust. The baseline nozzle is found to perform well, yielding 58.1% of the thrust calculated for a notional ideal RDRE nozzle which can instantaneously change shape to allow isentropic expansion of every fluid element. Optimization improves the performance, bringing the nozzle thrust to 70.0% of the notional ideal, and total engine thrust (chamber-plus-nozzle) to 94% of the ideal.

detonation↗

Computational Fluid Dynamic Optimization of an Experimental Rotating Detonation Rocket Engine Nozzle

A parametric optimization study is performed on the nozzle of a laboratory rotating detonation rocket engine (RDRE) using a three-dimensional computational fluid dynamic simulation. The primary optimization objective is maximum nozzle thrust. The basic nozzle configuration is a shrouded, truncated plug. The fluid in the RDRE chamber leading to the nozzle is choked at its exit so that its cyclic behavior is unaffected by any changes to the nozzle design. Optimization is performed for a single operating point. Parameters varied are the overall nozzle area expansion ratio and the fraction of the expansion area that is provided by the shroud. These two parameters indirectly affect the angle of the plug nozzle cone, and the bluff body area associated with its truncation. Nozzle thrust is evaluated as the difference between the thrust of the RDRE chamber-plus-nozzle combination and that of the chamber alone. The nozzle produces approximately 20% of the total engine thrust. The baseline nozzle is found to perform well, yielding 58.1% of the thrust calculated for a notional ideal RDRE nozzle which can instantaneously change shape to allow isentropic expansion of every fluid element. Optimization improves the performance, bringing the nozzle thrust to 70.0% of the notional ideal, and total engine thrust (chamber-plus-nozzle) to 94% of the ideal.

detonation↗

Li-ion battery design through microstructural optimization using generative AI

Lithium-ion batteries are used across various applications, necessitating tailored cell designs to enhance performance. Optimizing electrode manufacturing parameters is a key route to achieving this, as these parameters directly influence the microstructure and performance of the cells. However, linking process parameters to performance is complex, and experimental or modeling campaigns are often slow and expensive. This study introduces a fast computational optimization framework for electrode manufacturing parameters. A generative model, trained on a small dataset of microstructural images associated with different manufacturing parameters, efficiently generates representative microstructures for new parameters. This model is integrated into a Bayesian optimization loop that includes microstructure generation, characterization, and simulation, aiming to find optimal manufacturing parameters for a particular application. Significant improvement in the energy density of a 4680 cell is achieved through bespoke cell design, highlighting the importance of cell-scale normalization. The framework’s modularity allows its application to various advanced materials manufacturing scenarios.

batteries↗

Calibration of the 2-Phase Bubble Tracking Model for Liquid Mercury Target Simulation with Machine Learning Surrogate Models

The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory is one of the most powerful accelerator-driven neutron sources in the world. The intense protons strike on SNS's mercury target to provide bright neutron beams, which also leads to severe fluid-structure interactions inside the target. Prediction of resultant loading on the target is difficult particularly when helium gas is injected into mercury to reduce the loading and mitigate the pitting damage on vessel walls. A 2-phase material model that incorporates the Rayleigh-Plesset (R-P) model is expected to address this multi-physics problem. However, several uncertain parameters in the R-P model require intensive simulations to determine their optimal values. With the help of machine learning and the measured target strain, we have studied the major uncertain parameters in this R-P model and developed a framework to identify optimal parameters that significantly reduce the discrepancy between simulations and experimental strains. The preliminary results show the possibility of using this mercury/helium mixture and surrogate models to predict a better match of target strain response when the helium gas is injected.

Lin, Lianshan↗

Progress in navigation filter estimate fusion and its application to spacecraft rendezvous

A new derivation of an algorithm which fuses the outputs of two Kalman filters is presented within the context of previous research in this field. Unlike other works, this derivation clearly shows the combination of estimates to be optimal, minimizing the trace of the fused covariance matrix. The algorithm assumes that the filters use identical models, and are stable and operating optimally with respect to their own local measurements. Evidence is presented which indicates that the error ellipsoid derived from the covariance of the optimally fused estimate is contained within the intersections of the error ellipsoids of the two filters being fused. Modifications which reduce the algorithm's data transmission requirements are also presented, including a scalar gain approximation, a cross-covariance update formula which employs only the two contributing filters' autocovariances, and a form of the algorithm which can be used to reinitialize the two Kalman filters. A sufficient condition for using the optimally fused estimates to periodically reinitialize the Kalman filters in this fashion is presented and proved as a theorem. When these results are applied to an optimal spacecraft rendezvous problem, simulated performance results indicate that the use of optimally fused data leads to significantly improved robustness to initial target vehicle state errors. The following applications of estimate fusion methods to spacecraft rendezvous are also described: state vector differencing, and redundancy management.

Carpenter, J. Russell↗

Memory-efficient decoding of LDPC codes

We present a low-complexity quantization scheme for the implementation of regular (3,6) LDPC codes. The quantization parameters are optimized to maximize the mutual information between the source and the quantized messages. Using this non-uniform quantized belief propagation algorithm, we have simulated that an optimized 3-bit quantizer operates with 0.2dB implementation loss relative to a floating point decoder, and an optimized 4-bit quantizer operates less than 0.1dB quantization loss.

Low-Density-Parity-Check (LDPC)↗

Comparison of multiobjective optimization methods for the $\mathrm{LCLS-II}$ photoinjector

Particle accelerators are among some of the largest science experiments in the world and can consist of thousands of components with a wide variety of input ranges. These systems can easily become unwieldy optimization problems during design and operations studies. Starting in the early 2000s, searching for better beam dynamics configurations became synonymous with heuristic optimization methods in the accelerator physics community. Genetic algorithms and particle swarm optimization are currently the most widely used. These algorithms can take thousands of simulation evaluations to find optimal solutions for one machine prototype. For large facilities such as the Linac Coherent Light Source (LCLS) and others, this equates to a limited exploration of many possible design configurations. In this paper, the LCLS-II photoinjector is optimized with three optimization algorithms. All optimizations were started from both a uniform random and Latin hypercube sample. In all cases, the optimizations started from Latin hypercube samples outperformed optimizations started from uniform samples. All three algorithms were able to optimize the photoinjector, with the model-based methods approximating the Pareto front in fewer simulation evaluations. This work, in combination with previous optimization observations, indicates objective penalties have a strong impact on the efficiency of such methods. In general, we recommend heuristic methods for initial optimizations and model-based methods when information about the objective space is available.

43 PARTICLE ACCELERATORS↗

Machine learning-based surrogate modeling for data-driven optimization: a comparison of subset selection for regression techniques

Optimization of simulation-based or data-driven systems is a challenging task, which has attracted significant attention in the recent literature. A very efficient approach for optimizing systems without analytical expressions is through fitting surrogate models. Due to their increased flexibility, nonlinear interpolating functions, such as radial basis functions and Kriging, have been predominantly used as surrogates for data-driven optimization; however, these methods lead to complex nonconvex formulations. Alternatively, commonly used regression-based surrogates lead to simpler formulations, but they are less flexible and inaccurate if the form is not known a priori. In this work, we investigate the efficiency of subset selection regression techniques for developing surrogate functions that balance both accuracy and complexity. Subset selection creates sparse regression models by selecting only a subset of original features, which are linearly combined to generate a diverse set of surrogate models. Five different subset selection techniques are compared with commonly used nonlinear interpolating surrogate functions with respect to optimization solution accuracy, computation time, sampling requirements, and model sparsity. Furthermore, our results indicate that subset selection-based regression functions exhibit promising performance when the dimensionality is low, while interpolation performs better for higher dimensional problems.

42 ENGINEERING↗

Optimal Sizing of Resilience Solutions for the U.S. Army Reserve

Power or water outages in buildings threaten the ability of the military to support surrounding communities during natural disasters. Outages can last for days, weeks or months. Typical solutions include very expensive batteries and onsite generation that are sized based on historical power needs. The U.S. Army Reserve (USAR) has teamed up with the Pacific Northwest National Laboratory (PNNL) to develop a simulation framework that optimizes future power needs to reduce the cost of resilience solutions. The approach starts with the building. Power needs during an emergency event are simulated at the building end-use level, then loads are reduced through the selection of life cycle cost-effective building-level technology improvements. These new optimized loads are then fed into a microgrid sizing tool that dynamically constructs many different combinations of solar photovoltaic, battery storage, and generator resources to meet the load for hundreds of statistically generated outage scenarios. Six site assessments completed by USAR and PNNL in 2019 have resulted in a 1-14% reduction in overall investment when optimizing the buildings first before determining the generation requirements. This approach helps the Army secure critical missions and provide a 14 day-minimum supply of necessary energy and water in the most efficient manner.

buidlings, efficiency, resilience, FEDS, MCOR↗

Sensitivity Analysis and Optimization of Enclosure Radiation with Applications to Crystal Growth

In engineering, simulation software is often used as a convenient means for carrying out experiments to evaluate physical systems. The benefit of using simulations as 'numerical' experiments is that the experimental conditions can be easily modified and repeated at much lower cost than the comparable physical experiment. The goal of these experiments is to 'improve' the process or result of the experiment. In most cases, the computational experiments employ the same trial and error approach as their physical counterparts. When using this approach for complex systems, the cause and effect relationship of the system may never be fully understood and efficient strategies for improvement never utilized. However, it is possible when running simulations to accurately and efficiently determine the sensitivity of the system results with respect to simulation to accurately and efficiently determine the sensitivity of the system results with respect to simulation parameters (e.g., initial conditions, boundary conditions, and material properties) by manipulating the underlying computations. This results in a better understanding of the system dynamics and gives us efficient means to improve processing conditions. We begin by discussing the steps involved in performing simulations. Then we consider how sensitivity information about simulation results can be obtained and ways this information may be used to improve the process or result of the experiment. Next, we discuss optimization and the efficient algorithms which use sensitivity information. We draw on all this information to propose a generalized approach for integrating simulation and optimization, with an emphasis on software programming issues. After discussing our approach to simulation and optimization we consider an application involving crystal growth. This application is interesting because it includes radiative heat transfer. We discuss the computation of radiative new factors and the impact this mode of heat transfer has on our approach. Finally, we will demonstrate the results of our optimization.

Tiller, Michael M.↗

Development and application of a machine learning based multi-objective optimization workflow for CO 2 -EOR projects

Carbon dioxide-Enhanced Oil Recovery (CO 2 -EOR) is known as one of techniques for hydrocarbon production improvement as wells as an important candidate to reduce greenhouse gas emissions. Thus, an ideal development strategy for a CO 2 -EOR project would consider multiple objectives including to maximize oil recovery, CO 2 storage volume and project economic outcomes. This work proposes a robust computational framework that couples artificial neural network (ANN) and multi-objective optimizers to optimize the aforementioned objectives in CO 2 -EOR processes simultaneously. Expert ANN systems are trained and employed as surrogate models of the high-fidelity compositional simulator in the optimization workflow. The robustness of the development optimization protocol is confirmed via a synthetic injection-pattern-base case study. Afterward a field implementation to Morrow-B formation to optimize the tertiary recovery stage of the field development is discussed. This work compares the optimum solution found using an aggregate objective function and the solution repository (Pareto front) generated by the multi-objective optimization process. The comparison indicates the existence of potential multi-solutions satisfying certain criteria in a CO 2 -EOR project designing, which cannot be found using traditional weighted sum method. The optimization results provide significant insight into the decision-making process of CO 2 -EOR project when multiple objective functions are considered.

02 PETROLEUM↗

Fast model-based scenario optimization in NSTX-U enabled by analytic gradient computation

Model-based optimization offers a systematic approach to advanced scenario planning. In this case, the feedforward-control inputs (actuator trajectories) that are needed to attain and sustain a desired scenario are obtained by solving a nonlinear constrained optimization problem. This class of problems generally minimize a cost function that measures the difference between desired and actual plasma states. Several numerical optimization algorithms, such as sequential quadratic programming, require repeated calculation of the cost function gradients with respect to the input trajectories. Calculating these gradients numerically can be computationally intensive, increasing the time needed to solve the feedforward-control optimization problem. Here, this work introduces a method to analytically calculate these cost function gradients from the current profile evolution model. This can significantly reduce the computational time and allow for fast feedforward-control optimization, which would eventually enable optimal scenario planning between discharges. The performance of the feedforward optimizer with analytical gradients is compared to a traditional optimization algorithm based on numerical gradients for different NSTX-U scenarios. The plasma dynamics in the optimization algorithm are simulated using the Control Oriented Transport SIMulator (COTSIM). Results of the work show that analytical gradients consistently reduce the computation time while achieving trajectories that are comparable to those obtained by traditional optimization algorithms based on numerical gradients.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗