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At least 1,081 records · Page 60

Data-driven modeling and control of dynamical systems using Koopman and Perron-Frobenius operators

This dissertation studies the data-driven modeling and control problem of nonlinear systems by exploiting the linear operator theoretic framework involving Koopman and Perro-Frobenius operator. A systematic linear-operator based controller design procedure has been established, which can be used to solve a variety of nonlinear control problems, including feedback stabilization using control Lyapunov functions, optimal quadratic regulation using Koopman eigenfunctions and convex optimization formulation of optimal control problem using P-F and Koopman operator approximation. As the core of data-driven modeling, we first propose a new algorithm for the finite-dimensional approximation of the linear transfer Koopman and Perron-Frobenius operator from time-series data. We argue that the existing approach for the finite-dimensional approximation of these transfer operators such as Dynamic Mode Decomposition (DMD) and Extended Dynamic Mode Decomposition (EDMD) do not capture two important properties of these operators, namely positivity and Markov property. The algorithm we propose preserves these two properties. We call the proposed algorithm as naturally structured DMD (NSDMD) since it retains the inherent properties of these operators. Naturally structured DMD algorithm leads to a better approximation of the steady-state dynamics of the system regarding computing Koopman and Perron- Frobenius operator eigenfunctions and eigenvalues. However, preserving positivity property is critical for capturing the real transient dynamics of the system. This positivity property of the transfer operators and it's finite-dimensional approximation play an important role for controller and estimator design of nonlinear systems. To solve the feedback stabilization problem for nonlinear control systems, we tried to take advantage of the Koopman operator framework. The Koopman operator approach provides a linear representation for a nonlinear dynamical system and a bilinear representation for a nonlinear control system. The problem of feedback stabilization of a nonlinear control system is then transformed to the stabilization of a bilinear control system. We propose a control Lyapunov function (CLF)-based approach for the design of stabilizing feedback controllers for the bilinear system. The search for finding a CLF for the bilinear control system is formulated as a convex optimization problem. This leads to a schematic procedure for designing CLF-based stabilizing feedback controllers for the bilinear system and hence the original nonlinear system. Another advantage of the proposed controller design approach outlined in this dissertation is that it does not require explicit knowledge of system dynamics. In particular, the bilinear representation of a nonlinear control system in the Koopman eigenfunction space can be obtained from time-series data. Next, we study the optimal quadratic regulation problem for nonlinear systems. The linear operator theoretic framework involving the Koopman operator is used to lift the dynamics of nonlinear control system to an infinite-dimensional bilinear system. The optimal quadratic regulation problem for nonlinear system is formulated in terms of the finite-dimensional approximation of the bilinear system. A convex optimization-based approach is proposed for solving the quadratic regulator problem for bilinear system. We applied a variety of examples and compared the simulation results between our framework and conventional LQR control using linearized model. For more general optimal control problems, we provide a density-function based convex formulation for the optimal control problem of the nonlinear system. The convex formulation relies on the duality result in the stability theory of a dynamical system involving density function and Perron-Frobenius operator. The optimal control problem is formulated as an infinite-dimensional convex optimization program. The finite-dimensional approximation of the optimization problem relies on the recent advances made in the data-driven computation of the Koopman operator, which is dual to the Perron-Frobenius operator. Simulation results are presented to demonstrate the application of the developed framework.

Huang, Bowen↗

Guided Resilience Self Assessment Application

Reliable electricity access is vital for everything from hospitals to national security. When grid disturbances occur, it is crucial to minimize the amount of time it takes to recover. Grid resiliency considers both the preparation for and recovery from high-impact low-frequency disturbances (HILF) such as weather events and cyber attacks. The Department of Energy (DOE) Wind Energy Technologies Office (WETO) funds the multi-laboratory Microgrids, Infrastructure Resilience, and Advanced Control Launchpad (MIRACL) project to investigate technologies to support and grow distributed wind. Researchers at Idaho National Laboratory (INL) contribute to resilience and cybersecurity efforts for the project, and have produced a resilience framework to evaluate system resilience based on individual system specifications. In order to make this framework easy for anyone to apply, I have coded a web application that allows users to input their power system qualities, goals, and perceived risks and then receive suggestions on how to improve their grid resiliency. The web application follows the seven steps in the planning stage of the framework process, allowing the user to input information about their grid and select from common goals, metrics, and hazards, as well as add their own. The application currently provides information about how to complete each step, requiring minimal prior knowledge of the framework. Future work for this application will include allowing the user to submit line drawings of their system and incorporate modeling tools so that the hazard simulations of applying the framework is completed for the user.

97 MATHEMATICS AND COMPUTING↗

Exploring Flood Predictability in Taiwan through Coupled Atmospheric–Hydrological and High-Performance Hydrodynamic Models

Effective flood simulation capabilities can tremendously support early warning and disaster prevention. To examine the applicability of a fully physics-based and high-performance flood simulation and forecasting modeling framework for a flood-prone region in Taiwan, we conduct a numerical experiment that couples the Weather Research and Forecasting (WRF) Model, WRF-Hydrological modeling system (WRF-Hydro), and the Two-Dimensional Runoff Inundation Toolkit for Operational Needs (TRITON) to perform integrated rainfall, streamflow, and flood simulations. Furthermore, we first use the coupled WRF and WRF-Hydro (WWH) to predict rainfall and streamflow and then drive TRITON with the predicted streamflow hydrographs to simulate flood depth and inundation area. With the refined spatial resolution and parameterization, this framework can better predict rainfall with reasonable spatial patterns. Although WWH could overestimate the amount of rainfall in some areas, the uncertain rainfall–streamflow predictions produce reasonable flood maps able to pinpoint regions at risk of flooding. In terms of model efficiency, the graphics processing unit–based computation can yield a speed-up factor as high as ∼13 compared to the central processing unit–based computation, promoting the efficacy of the coupled modeling framework in practical real-time flood forecasting.

Coupled models↗

Predicting Partial Atomic Charges in Metal–Organic Frameworks: An Extension to Ionic MOFs

Molecular simulation is an invaluable tool to predict and understand the usage of metal–organic frameworks (MOFs) for gas storage and separation applications. Accurate partial atomic charges, commonly obtained from density functional theory (DFT) calculations, are often required to model the electrostatic interactions between the MOF and adsorbates, especially when the adsorbates have dipole or quadrupole moments, such as water and CO 2 . Machine learning (ML) models have been previously employed to predict partial charges and avoid the computational cost associated with DFT calculations. However, previous ML models suffer from small training data sets, which limit their scope of application. In this work, we introduce two novel machine learning models, PACMOF2-neutral and PACMOF2-ionic, aimed at predicting the density-derived electrostatic and chemical (DDEC6) partial atomic charges for both neutral and ionic MOFs. These models not only yield DFT-level accuracy at a fraction of the computational cost but also demonstrate a remarkable improvement in prediction of adsorption, as validated with grand canonical Monte Carlo simulations. Furthermore, the robustness and fast computational time of the PACMOF2 models, along with their transferability to other porous materials such as covalent organic frameworks and zeolites, underscores their potential in high-throughput screening of MOFs for diverse applications.

36 MATERIALS SCIENCE↗

A Flexible Multibody Approach to Space Launch System Liftoff Pad Separation with Umbilical Disconnect

A flexible multibody dynamic framework is applied to the Space Launch System (SLS) liftoff Coupled Loads Analysis (CLA), enabling computational efficiencies and systematic inclusion of components and various nonlinearities. The objective of this work is to simulate the SLS liftoff transient pad separation event inclusive of umbilical disconnects. The vehicle stacking preloads and cryogenically induced preloads, due to the fueling of the Core Stage (CS), are integrated via specialized deformed coupling procedure to ensure full capture of the liftoff transient event. The Vehicle Stabilizer System (VSS) hydraulic struts are nonlinear and provide amplitude dependent damping, significantly contributing to the liftoff transient event. Ground Extensible Columns (EC) provide additional stiffness and preloads on the Mobile Launcher (ML), also significantly contributing to the liftoff transient. An advanced Henkel-Mar algorithm, with separation and re-contact, thus tracking the potential post separation re-contact between the booster aft skirt and ML, the umbilicals and vehicle, and ground EC separation. For this system level nonlinear dynamic simulation, the flexible multibody framework provides a systematic approach for the addition of component specific algorithms to enforce nonlinearities. This multibody framework is similar to an object-oriented programming language integrating classes of associated subroutines. As such, the complexities associated with the nonlinear CLA are greatly reduced, facilitating simplified bookkeeping as well as accelerating the execution of the nonlinear time-domain simulations.

Joel W Sills Jr.↗

Hybridized Methods for Quantum Simulation in the Interaction Picture

Conventional methods of quantum simulation involve trade-offs that limit their applicability to specific contexts where their use is optimal. In particular, the interaction picture simulation has been found to provide substantial asymptotic advantages for some Hamiltonians, but incurs prohibitive constant factors and is incompatible with methods like qubitization. We provide a framework that allows different simulation methods to be hybridized and thereby improve performance for interaction picture simulations over known algorithms. These approaches show asymptotic improvements over the individual methods that comprise them and further make interaction picture simulation methods practical in the near term. Physical applications of these hybridized methods yield a gate complexity scaling as log 2 ⁡ Λ in the electric cutoff Λ for the Schwinger Model and independent of the electron density for collective neutrino oscillations, outperforming the scaling for all current algorithms with these parameters. For the general problem of Hamiltonian simulation subject to dynamical constraints, these methods yield a query complexity independent of the penalty parameter λ used to impose an energy cost on time-evolution into an unphysical subspace.

97 MATHEMATICS AND COMPUTING↗

A Prototyping Effort for the Integrated Spacecraft Analysis System

Computer modeling and simulation has recently become an essential technique for predicting and validating spacecraft performance. However, most computer models only examine spacecraft subsystems, and the independent nature of the models creates integration problems, which lowers the possibilities of simulating a spacecraft as an integrated unit despite a desire for this type of analysis. A new project called Integrated Spacecraft Analysis was proposed to serve as a framework for an integrated simulation environment. The project is still in its infancy, but a software prototype would help future developers assess design issues. The prototype explores a service oriented design paradigm that theoretically allows programs written in different languages to communicate with one another. It includes creating a uniform interface to the SPICE libraries such that different in-house tools like APGEN or SEQGEN can exchange information with it without much change. Service orientation may result in a slower system as compared to a single application, and more research needs to be done on the different available technologies, but a service oriented approach could increase long term maintainability and extensibility.

mission planning↗

Sensor Fault Detection and Diagnosis Simulation of a Helicopter Engine in an Intelligent Control Framework

This paper presents an application of a fault detection and diagnosis scheme for the sensor faults of a helicopter engine. The scheme utilizes a model-based approach with real time identification and hypothesis testing which can provide early detection, isolation, and diagnosis of failures. It is an integral part of a proposed intelligent control system with health monitoring capabilities. The intelligent control system will allow for accommodation of faults, reduce maintenance cost, and increase system availability. The scheme compares the measured outputs of the engine with the expected outputs of an engine whose sensor suite is functioning normally. If the differences between the real and expected outputs exceed threshold values, a fault is detected. The isolation of sensor failures is accomplished through a fault parameter isolation technique where parameters which model the faulty process are calculated on-line with a real-time multivariable parameter estimation algorithm. The fault parameters and their patterns can then be analyzed for diagnostic and accommodation purposes. The scheme is applied to the detection and diagnosis of sensor faults of a T700 turboshaft engine. Sensor failures are induced in a T700 nonlinear performance simulation and data obtained are used with the scheme to detect, isolate, and estimate the magnitude of the faults.

Litt, Jonathan↗

Agreement of Analytical and Simulation-Based Estimates of the Required Land Depth in Climate Models

Previous analytical and simulation-based analyses suggest that deeper land surface models are needed to realistically simulate the terrestrial thermal state in climate models, with implications for land-atmosphere interactions. Analytical approaches mainly focused on the subsurface propagation of harmonics such as the annual temperature signal, and a direct comparison with climate-change model output has been elusive. Here, this study addresses the propagation of a harmonic pulse fitted to represent the timescale and amplitude of anthropogenic warming. Its comparison to land model simulations with stepwise increased bottom boundary depth leads to an agreement between the simulation-based and analytical frameworks for long-term climate trends. Any depth increase gradually decreases the relative error in the subsurface thermodynamics, and a minimum depth of 170 m is recommended to simulate the ground climate adequately. The approach provides an accurate estimate of the required land-model depth for climate-change simulations and assesses the relative bias in insufficiently deep land models.

54 ENVIRONMENTAL SCIENCES↗

Credible practice of modeling and simulation in healthcare: ten rules from a multidisciplinary perspective

The complexities of modern biomedicine are rapidly increasing. Thus, modeling and simulation have become increasingly important as a strategy to understand and predict the trajectory of pathophysiology, disease genesis, and disease spread in support of clinical and policy decisions. In such cases, inappropriate or ill-placed trust in the model and simulation outcomes may result in negative outcomes, and hence illustrate the need to formalize the execution and communication of modeling and simulation practices. Although verification and validation have been generally accepted as significant components of a model’s credibility, they cannot be assumed to equate to a holistic credible practice, which includes activities that can impact comprehension and in-depth examination inherent in the devel-opment and reuse of the models. For the past several years, the Committee on Credible Practice of Modeling and Simulation in Healthcare, an interdisciplinary group seeded from a U.S. interagency initiative, has worked to codify best practices. Here, we provide Ten Rules for credible practice of modeling and simulation in healthcare developed from a comparative analysis by the Committee’s multidisciplinary membership, followed by a large stakeholder com-munity survey. These rules establish a unified conceptual framework for modeling and simulation design, implementation, evaluation, dissemination and usage across the modeling and simulation life-cycle. While biomedical science and clinical care domains have somewhat different requirements and expectations for credible practice, our study converged on rules that would be useful across a broad swath of model types. In brief, the rules are: (1) Define context clearly. (2) Use contextually appropriate data. (3) Evaluate within context. (4) List limitations explicitly. (5) Use version control. (6) Document appropriately. (7) Disseminate broadly. (8) Get independent reviews. (9) Test competing imple-mentations. (10) Conform to standards. Although some of these are common sense guidelines, we have found that many are often missed or misconstrued, even by seasoned practitioners. Computational models are already widely used in basic science to generate new biomedical knowledge. As they penetrate clinical care and healthcare policy, contributing to personalized and precision medicine, clinical safety will require established guidelines for the credible practice of modeling and simulation in healthcare.

Credibility↗

Machine learning force field model for kinetic Monte Carlo simulations of itinerant Ising magnets

Here, we present a scalable machine learning (ML) framework for large-scale kinetic Monte Carlo (kMC) simulations of itinerant electron Ising systems. As the effective interactions between Ising spins in such itinerant magnets are mediated by conducting electrons, the calculation of energy change due to a local spin update requires solving an electronic structure problem. Such repeated electronic structure calculations could be overwhelmingly prohibitive for large systems. Assuming the locality principle, a convolutional neural network (CNN) model is developed to directly predict the effective local field and the corresponding energy change associated with a given spin update based on Ising configuration in a finite neighborhood. As the kernel size of the CNN is fixed at a constant, the model can be directly scalable to kMC simulations of large lattices. Our approach is reminiscent of the ML force field models widely used in first-principles molecular dynamics simulations. Applying our ML framework to a square-lattice double-exchange Ising model, we uncover unusual coarsening of ferromagnetic domains at low temperatures. Our work highlights the potential of ML methods for large-scale modeling of similar itinerant systems with discrete dynamical variables.

machine learning↗

CityLearn v2: energy-flexible, resilient, occupant-centric, and carbon-aware management of grid-interactive communities

As more distributed energy resources become part of the demand-side infrastructure, quantifying their energy flexibility on a community scale is crucial. CityLearn v1 provided an environment for benchmarking control algorithms. However, there is no standardized environment utilizing realistic building-stock datasets for distributed energy resource control benchmarking without co-simulation or third-party frameworks. CityLearn v2 extends CityLearn v1 by providing a stand-alone simulation environment that leverages the End-Use Load Profiles for the U.S. Building Stock dataset to create grid-interactive communities for resilient, multi-agent, and objective control of distributed energy resources with dynamic occupant feedback. While the v1 environment used pre-simulated building thermal loads, the v2 environment uses data-driven thermal dynamics and eliminates the need for co-simulation with building energy performance software. This work details the v2 environment and provides application examples that use reinforcement learning control to manage battery energy storage system, vehicle-to-grid control, and thermal comfort during heat pump power modulation.

Nweye, Kingsley↗

Examining Reuse in LaSRS++-Based Projects

NASA Langley Research Center (LaRC) developed the Langley Standard Real-Time Simulation in C++ (LaSRS++) to consolidate all software development for its simulation facilities under one common framework. A common framework promised a decrease in the total development effort for a new simulation by encouraging software reuse. To judge the success of LaSRS++ in this regard, reuse metrics were extracted from 11 aircraft models. Three methods that employ static analysis of the code were used to identify the reusable components. For the method that provides the best estimate, reuse levels fall between 66% and 95% indicating a high degree of reuse. Additional metrics provide insight into the extent of the foundation that LaSRS++ provides to new simulation projects. When creating variants of an aircraft, LaRC developers use object-oriented design to manage the aircraft as a reusable resource. Variants modify the aircraft for a research project or embody an alternate configuration of the aircraft. The variants inherit from the aircraft model. The variants use polymorphism to extend or redefine aircraft behaviors to meet the research requirements or to match the alternate configuration. Reuse level metrics were extracted from 10 variants. Reuse levels of aircraft by variants were 60% - 99%.

Madden, Michael M.↗

Evaluating Precipitation Features and Rainfall Characteristics in a Multi-scale Modeling Framework

Cloud and precipitation systems over the tropics and subtropics are simulated with a multi-scale modeling framework (MMF) and compared against the TRMM radar precipitation features (RPFs) product. A methodology, in close analogy to the TRMM RPFs, is developed to analyze simulated cloud precipitating structures from the embedded two-dimensional cloud-resolving models (CRMs) within an MMF. Despite the two-dimensionality of the CRMs, the simulated RPFs population distribution, and horizontal and vertical structure are in good agreement with TRMM observations. However, some deficits are also found in the model simulations. The model tends to overestimate mean convective precipitation rates for RPFs with a size less than 100 km, contributing to the excessive precipitation biases in the warm pool and western Pacific, western and northern India Ocean, and eastern Pacific commonly found in most MMFs. For large features with a size greater than 150 km, both convective and stratiform rain rates are underestimated. The distribution of maximum radar echo top heights as a function of RPF size is well simulated except the model tends to underestimate the occurrence frequency of maximum heights greater than 15 km. The maximum echo top heights for convective cells embedded within large RPFs with a size greater than 150 km are also underestimated. The cyclic lateral boundary with a limited model domain generates artificial occurrences for RPFs with a size close to the model domain size, producing a significant contribution to the total rainfall due to their sizes. This cyclic lateral boundary effect can be easily identified and quantified in both probability and cumulative distribution functions of RPFs. The geophysical distribution of the population of the largest RPFs in the control experiment shows they are mainly located in the Subtropics but also partially contribute to the common MMF biases of excessive precipitation in the Tropics. Sensitivity experiments using CRMs with different domain sizes and different grid spacings show larger domains (higher resolution) tend to shift the RPFs distribution to large (small) sizes. The cyclic lateral boundary biases increase as CRM domain size decreases. The impacts of model horizontal and vertical resolution on simulated convective systems are also investigated.

Chern, Jiun-Dar↗

High-Voltage DC MULTI-terminal SIMulation (HVDC MULTISIM): Technical Program Summary

Expansion of the power grid in the USA is essential to fulfilling the rising energy demand of the country. In particular, the transmission grid, a network of electrical energy corridors that enable the flow of large amounts of energy from the point of generation to the point of consumption, needs significant expansion to cater to this growth of electrification. The current infrastructure is also dated, and any new transmission corridor should be based on a vision of building a modern infrastructure that is futureproof. High voltage DC (HVDC) transmission technology falls in this category: it is the most economical way to build large transmission lines and relies on sophisticated electronics and flexible controls, rather than just passive components like switchgear and transformers. This project is aimed at establishing the technical and economic feasibility of a network of HVDC lines that are interconnected to form a multi-terminal DC network. HVDC transmission is not a new technology and United States has a number of such lines; however, these are point to point transmissions and do not form a DC grid. Modeling and analyzing DC grids is challenging since there are no established modeling tools and the traditional ways of modeling AC grids fall short of providing the fidelity required the fast dynamics of the DC grid. This project aims to build a software-in-the-loop simulator for a multi-terminal HVDC grid, called MULTISIM and, establish new control and protection algorithms to operate such a connected DC system. NLR, a key partner, established the core framework of the MULTISIM simulator and validated its functionality. The GE Vernova team, created a full-scale model of a four-terminal HVDC network using PSCAD (Power Systems Computer Aided Design) software and established the baseline performance of the system during normal and fault operation. The project was started on 10/12024 with a kick-off meeting held on 12/11/2024 and ran through two quarters till termination. All the tasks, milestones and deliverables during this period were met. Several interim reports detailing the various tasks were submitted. The following sections provide details on the completed tasks till the project pause and termination after Q2.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Dynamical simulation via quantum machine learning with provable generalization

Much attention has been paid to dynamical simulation and quantum machine learning (QML) independently as applications for quantum advantage, while the possibility of using QML to enhance dynamical simulations has not been thoroughly investigated. Here we develop a framework for using QML methods to simulate quantum dynamics on near-term quantum hardware. We use generalization bounds, which bound the error a machine learning model makes on unseen data, to rigorously analyze the training data requirements of an algorithm within this framework. Our algorithm is thus resource efficient in terms of qubit and data requirements. Furthermore, our preliminary numerics for the XY model exhibit efficient scaling with problem size, and we simulate 20 times longer than Trotterization on IBMQ-Bogota. Published by the American Physical Society 2024

97 MATHEMATICS AND COMPUTING↗

Seasonal Cycle of Idealized Polar Clouds: Large Eddy Simulations Driven by a GCM

The uncertainty in polar cloud feedbacks calls for process understanding of the cloud response to climate warming. As an initial step toward improved process understanding, we investigate the seasonal cycle of polar clouds in the current climate by adopting a novel modeling framework using large eddy simulations (LES), which explicitly resolve cloud dynamics. Resolved horizontal and vertical advection of heat and moisture from an idealized GCM are prescribed as forcing in the LES. The LES are also forced with prescribed sea ice thickness, but surface temperature, atmospheric temperature, and moisture evolve freely without nudging. A semigray radiative transfer scheme without water vapor and cloud feedbacks allows the GCM and LES to achieve closed energy budgets more easily than would be possible with more complex schemes. This enables the mean states in the two models to be consistently compared, without the added complications from interaction with more comprehensive radiation. Furthermore, we show that the LES closely follow the GCM seasonal cycle, and the seasonal cycle of low-level clouds in the LES resembles observations: maximum cloud liquid occurs in late summer and early autumn, and winter clouds are dominated by ice in the upper troposphere. Large-scale advection of moisture provides the main source of water vapor for the liquid-containing clouds in summer, while a temperature advection peak in winter makes the atmosphere relatively dry and reduces cloud condensate. The framework we develop and employ can be used broadly for studying cloud processes and the response of polar clouds to climate warming.

54 ENVIRONMENTAL SCIENCES↗

Coupled Multiphysics Simulations of Heat Pipe Microreactors Using DireWolf

DireWolf is a multiphysics software driver application designed to simulate heat pipe–cooled nuclear microreactors. Developed under the U.S. Department of Energy, Office of Nuclear Energy Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, the DireWolf software application’s objective is to provide the nuclear community with a design and safety analysis simulation capability. Based upon the NEAMS program Multiphysics Object-Oriented Simulation Environment (MOOSE) computational framework, DireWolf tightly couples nuclear microreactor physics, reactor physics, radiation transport, nuclear fuel performance, heat pipe thermal hydraulics, power generation, and structural mechanics to resolve the interdependent nonlinearities. DireWolf is capable of simulating both steady and transient normal reactor operation and several postulated failure scenarios. We will present the fundamental physics of heat pipe–cooled nuclear microreactors and the MOOSE-based software employed in DireWolf. Both steady and transient results for coupled reactor physics, radiation transport, and nuclear fuel performance are demonstrated.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗