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At least 91 records · Page 5

Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis: Version 6.15 User's Manual

The Dakota toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers.

97 MATHEMATICS AND COMPUTING↗

System and method for implementing a zero-sequence current filter for a three-phase power system

In a three-phase, four-wire electrical distribution system, a zig-zag transformer and at least one Cascade Multilevel Modular Inverter (CMMI) is coupled between the distribution system and the neutral. A controller modulates the states of the H-bridges in the CMMI to build an AC waveform. The voltage is chosen by the controller in order to control an equivalent impedance that draws an appropriate neutral current through the transformer. This neutral current is generally chosen to cancel the neutral current sensed in the line. The chosen neutral current may be based on a remotely sensed imbalance, rather than on a local value, determined by the power utility as a critical load point in the system. The desired injection current is then translated by the controller into a desired zero-sequence reactive impedance, based on measurement of the local terminal voltage, allowing the controller to regulate the current without generating or consuming real power.

Benavides, Nicholas↗

Multilevel Spectral Coarsening for Graph Laplacian Problems with Application to Reservoir Simulation

We extend previously developed two-level coarsening procedures for graph Laplacian problems written in a mixed saddle point form to the fully recursive multilevel case. The resulting hierarchy of discretizations gives rise to a hierarchy of upscaled models, in the sense that they provide approximation in the natural norms (in the mixed setting). This property enables us to utilize them in three applications: (i) as an accurate reduced model, (ii) as a tool in multilevel Monte Carlo simulations (in application to finite volume discretizations), and (iii) for providing a sequence of nonlinear operators in a full approximation scheme for solving nonlinear pressure equations discretized by the conservative two-point flux approximation. Finally, we illustrate the potential of the proposed multilevel technique in all three applications on a number of popular benchmark problems used in reservoir simulation.

multilevel Monte Carlo↗

Active Fault Current Limiting Control for Half-Bridge MMC in HVDC Systems

DC faults of MMC can result in a significantly large fault current due to the discharge of submodule capacitors. The fault current not only risks damaging the MMC but also demands a considerable breaking capacity from the dc circuit breaker (DCCBs). This paper introduces two novel active fault current limiting methods (AFCLs), namely virtual impedance-based and energy control-based AFCL. The first method utilizes circulating current feedforward, which introduces a virtual arm impedance to suppress the rate of rise of the fault current. Meanwhile, the second method relies on the control of the internally stored energy of the MMC to automatically minimize the number of submodules that discharge during a dc-side fault. Therefore, both the dc-side current and the MMC arm current can be effectively suppressed after the occurrence of the fault. The proposed methods do not require fault detection and their response is proportional to the rate of rise in the fault current. Simulation case studies are presented to demonstrate the proposed methods.

active current limiting control↗

Optimal Control for the Quantum Simulation of Nuclear Dynamics

We propose a method for enacting the unitary time propagation of two interacting neutrons at leading order of chiral effective-field theory by efficiently encoding the nuclear dynamics into a single multilevel quantum device. The emulated output of the quantum simulation shows that, by applying a single gate that draws on the underlying characteristics of the device, it is possible to observe multiple cycles of the nuclear dynamics before the onset of decoherence. Owing to the signal's longevity, we can then extract spectroscopic properties of the simulated nuclear system. This allows us to validate the encoding of the nuclear Hamiltonian and the robustness of the simulation in the presence of quantum-hardware noise by comparing the extracted spectroscopic information to exact calculations. This work paves the way for transformative calculations of the dynamical properties of nuclei on near-term quantum devices.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fast Multigrid Reduction-in-Time for Advection via Modified Semi-Lagrangian Coarse-Grid Operators

Many iterative parallel-in-time algorithms have been shown to be highly efficient for diffusion-dominated partial differential equations (PDEs) but are inefficient or even divergent when applied to advection-dominated PDEs. We consider the application of the multigrid reduction-in-time (MGRIT) algorithm to linear advection PDEs. Here, the key to efficient time integration with this method is using a coarse-grid operator that provides a sufficiently accurate approximation to the so-called ideal coarse-grid operator. For certain classes of semi-Lagrangian discretizations, we present a novel semi-Lagrangian-based coarse-grid operator that leads to fast and scalable multilevel time integration of linear advection PDEs. The coarse-grid operator is composed of a semi-Lagrangian discretization followed by a correction term, with the correction designed so that the leading-order truncation error of the composite operator is approximately equal to that of the ideal coarse-grid operator. Parallel results show substantial speed-ups over sequential time integration for variable-wave-speed advection problems in one and two spatial dimensions, and using high-order discretizations up to order five. The proposed approach establishes the first practical method that provides small and scalable MGRIT iteration counts for advection problems.

97 MATHEMATICS AND COMPUTING↗

White Box Access to Quantum Testbeds for Co-Design

At Lawrence Livermore National Laboratory (LLNL), we operate and maintain the Quantum Device and Integration Testbed (QuDIT) facility, a small quantum testbed that supports about 10 active research teams (including our own) and over 50 internal and external collaborators. This testbed is designed to give remote white box access to users for research, training, and outreach. A guiding principle behind the development of our testbed infrastructure, software and user interfaces is to empower users to perform experiments at the cutting edge of quantum information science at any level of abstraction, from materials studies, device physics and control and characterization techniques to algorithm development and quantum operating system design. Our testbed targets a multilevel quantum system (qudit) to expand the accessible Hilbert space of a simple-to-manufacture quantum device and focuses on quantum simulation, typically implemented through custom gates designed with quantum optimal control methods, rather than on a universal computing framework with a fixed gate set. We leverage the Lab’s high-performance computing (HPC) program and related expertise to simulate quantum systems, develop hybrid algorithms, and generate gates optimized for given simulations. Additionally, we have adopted a co-design philosophy from the HPC community in designing new hardware, so that the systems we develop are optimized for the specific physics simulations we plan to use them for.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Open-circuit submodule fault diagnosis in MMCs using support vector machines

Series connection of semiconductor submodules (SM) in a modular multilevel converter (MMC) makes the MMC prone to open-circuit (OC) IGBT failures inside SMs. If left undetected, these faults degrade the operation of the MMC and lead to its instability. This article proposes a method to detect, localise, and classify single OC SM faults in an MMC using support vector machines (SVM) trained with data obtained from the capacitor voltage balancing block of the MMC control system. The proposed method relies on data extracted from the sorted capacitor voltage arrays of the upper and lower phase arms. Therefore, it does not require extra measurements and hardware. Additionally, it offers a fixed time for detecting and localising OC SM faults. This method is easy to implement as SVM has a simple decision function. Time-domain simulation case studies are performed on a three-phase nine-level MMC to evaluate the performance of the proposed method.

42 ENGINEERING↗

Unsupervised Clustering of Microseismic Events and Focal Mechanism Analysis at the CO 2 Injection Site in Decatur, Illinois

Characterization of induced microseismicity at a carbon dioxide (CO 2 ) storage site is critical for preserving reservoir integrity and mitigating seismic hazards. We apply a multilevel machine learning (ML) approach that combines the nonnegative matrix factorization and hidden Markov model to extract spectral representations of microseismic events and cluster them to identify seismic patterns at the Illinois Basin-Decatur Project. Unlike traditional waveform correlation methods, this approach leverages spectral characteristics of first arrivals to improve event classification and detect previously undetected planes of weakness. By integrating ML-based clustering with focal mechanism analysis, we resolve small-scale fault structures that are below the detection limits of conventional seismic imaging. Our findings reveal temporal bursts of microseismicity associated with brittle failure, providing insights into the spatio-temporal evolution of fault reactivation during CO 2 injection. This approach enhances seismic monitoring capabilities at CO 2 injection sites by improving fault characterization beyond the resolution of standard geophysical surveys.

Willis, Rachel Marie [Sandia National Laboratories↗

Multilevel graph embedding

The goal of the present paper is the design of embeddings of a general sparse graph into a set of points in $\mathbb{R}^d$ for appropriate d ≥ 2. The embeddings that we are looking at here aim to keep vertices that are grouped in communities together and keep the rest apart. To achieve this property, we utilize coarsening that respects possible community structures of the given graph. We employ a hierarchical multilevel coarsening approach that identifies communities (strongly connected groups of vertices) at every level. The multilevel strategy allows any given (presumably expensive) graph embedding algorithm to be made into a more scalable (and faster) algorithm. We demonstrate the presented approach on a number of given embedding algorithms and large-scale graphs and achieve speed-up over the methods in a recent paper.

97 MATHEMATICS AND COMPUTING↗

Modeling and ZVS Operation of the Isolated Modular Multilevel DC–DC Converter With a Unified Trapezoidal Wave Modulation

Here, this article introduces a unified trapezoidal wave (UTW) modulation scheme for the isolated modular multilevel dc–dc (IM2dc) converter, which consolidates multiple existing modulation strategies for the IM2dc converter, including the quasi-square wave (QSW) modulation, trapezoidal wave modulation, and sinusoidal wave modulation, into a unified framework. Furthermore, this article introduces the harmonic state-space (HSS) equations to model the IM2dc converter based on the UTW modulation method. The HSS model operates in the frequency domain, enabling it to circumvent the complexities associated with time-domain analysis and seamlessly integrate with the UTW modulation. This article proceeds to analyze the real and reactive power transfer characteristics of the IM2dc converter, as well as the power factor, considering the influence of multiple modulation parameters. Subsequently, it delves into the examination of zero voltage switching (ZVS) conditions for the IM2dc converter based on the UTW modulation and the HSS model. The complete ZVS boundaries of the IM2dc converter, taking various voltage ratios into account, are derived. This article also illustrates the effects of including harmonic orders in the modeling process, modulation parameters, and internal harmonic ripples on the ZVS boundaries. Finally, experimental validation of the analyses is conducted on a down-scaled prototype.

42 ENGINEERING↗

AIR Algebraic Multigrid for a Space-Time Hybridizable Discontinuous Galerkin Discretization of Advection(-Diffusion)

This article investigates the efficiency, robustness, and scalability of approximate ideal restriction (AIR) algebraic multigrid as a preconditioner in the all-at-once solution of a space-time hybridizable discontinuous Galerkin discretization of advection-dominated flows. The motivation for this study is that the time-dependent advection-diffusion equation can be seen as a “steady” advection-diffusion problem in $(d+1)$-dimensions and AIR has been shown to be a robust solver for steady advection-dominated problems. Numerical examples demonstrate the effectiveness of AIR as a preconditioner for advection-diffusion problems on fixed and time-dependent domains, using both slab-by-slab and all-at-once space-time discretizations, and in the context of uniform and space-time adaptive mesh refinement. A closer look at the geometric coarsening structure that arises in AIR also explains why AIR can provide robust, scalable, space-time convergence on advective and hyperbolic problems, while most multilevel parallel-in-time schemes struggle with such problems.

97 MATHEMATICS AND COMPUTING↗

Artificial Intelligence and Multiscale Modeling for Sustainable Biopolymers and Bioinspired Materials

Abstract Biopolymers and bioinspired materials contribute to the construction of intricate hierarchical structures that exhibit advanced properties. The remarkable toughness and damage tolerance of such multilevel materials are conferred through the hierarchical assembly of their multiscale (i.e., atomistic to macroscale) components and architectures. Here, the functionality and mechanisms of biopolymers and bio‐inspired materials at multilength scales are explored and summarized, focusing on biopolymer nanofibril configurations, biocompatible synthetic biopolymers, and bio‐inspired composites. Their modeling methods with theoretical basis at multiple lengths and time scales are reviewed for biopolymer applications. Additionally, the exploration of artificial intelligence‐powered methodologies is emphasized to realize improvements in these biopolymers from functionality, biodegradability, and sustainability to their characterization, fabrication process, and superior designs. Ultimately, a promising future for these versatile materials in the manufacturing of advanced materials across wider applications and greater lifecycle impacts is foreseen.

Wang, Xing Quan [Department of Mechanical Engineer↗

Scientific Data Compression for Large Scale Computational Fluid Dynamics (CFD) Simulations

This Cooperative Research and Development Agreement (CRADA) between Oak Ridge National Laboratory (ORNL) and General Electric (GE) investigated methods for reducing the size of large computational fluid dynamics (CFD) simulation datasets using scientific data compression techniques. The work focused on adapting the MultiGrid Adaptive Reduction of Data (MGARD) compression framework and integrating it with high-performance I/O and visualization tools used in CFD workflows. MGARD uses hierarchical multilevel decomposition to enable error-controlled compression of floating-point scientific data while preserving quantities of interest. During the project, MGARD compression was integrated with the ADIOS I/O framework and visualization tools such as ParaView to enable efficient storage, transfer, and analysis of simulation data. The collaboration also explored approaches for improving compression performance for CFD data defined on unstructured meshes. Results demonstrate that scientific data compression can significantly reduce storage requirements and improve data management for large-scale CFD simulations.

97 MATHEMATICS AND COMPUTING↗

A Voltage Injection-Based Current Harmonics Suppression Strategy for Six-Phase PMSM With Nonsinusoidal Back EMF

This article presents a voltage injection-based current harmonic minimization method for wide bandgap device-based six-phase permanent magnet synchronous machine (PMSM) drives. The presence of low-order harmonics is common in the back EMF of PMSMs with low slot and high pole numbers. The back EMF harmonics generate low-order harmonic currents that increase torque ripples. Furthermore, zero-sequence current (ZSC) is also observed if all six phases are connected to a common neutral point. ZSC does not affect the torque ripple but reduces the system efficiency. A special technique is required to reduce ZSC for variable speed drives as direct ac component to synchronous reference frame (SRF) dc transformation is not possible for ZSC. In this article, a voltage injection-based current harmonics reduction method is proposed. The injected harmonic voltage coefficients are calculated from the harmonic estimations of back EMF and updated using closed-loop harmonic compensators to improve steady-state performance. For ZSC reduction, third harmonics power controller, and for 6n ± 1 (n = 1, 2,...) order harmonic current reduction, SRF current controllers are presented in this article. Furthermore, the current harmonics minimization method is experimentally verified using a GaN-based three-level active neutral point clamped inverter-driven six-phase PMSM.

42 ENGINEERING↗

Multilevel Conditional Disturbance Rejection Control for Satellite Attitude Tracking

Recently, the conditional disturbance rejection controller (CDRC) was proposed to improve control performance by leveraging disturbances that have beneficial effects on the system. However, it only considers disturbances acting on the state variable directly influenced by them. Although fast convergence of this state can be achieved with the CDRC, it may unintentionally affect the convergence of the output (i.e., the primary state). Here, in this article, a multilevel CDRC is proposed to enhance satellite attitude control performance by accounting for the effect of disturbances on both attitude (output) and angular velocity. The extended state observer is employed to estimate the lumped disturbance, including the modeling errors and external disturbances. Then, a backstepping-based controller with the multilevel disturbance rejection law (ML-DRL) is designed for attitude tracking. The ML-DRL is developed to improve the control performance by using a disturbance with a damping effect on both attitude and velocity. Faster convergence of attitude and velocity can be achieved by conditionally compensating for the disturbance. The stability of the proposed control method is analyzed by demonstrating that the errors are bounded as time tends to infinity. The attitude control performance of the proposed method is evaluated through numerical examples conducted using the MATLAB/Simulink Multibody tool.

Active disturbance rejection control (ADRC)↗

Denoising Seismic Waveforms Using a Wavelet-Transform-Based Machine-Learning Method

Seismic waveform data recorded at stations can be thought of as a superposition of the signal from a source of interest and noise from other sources. Frequency‐based filtering methods for waveform denoising do not result in desired outcomes when the targeted signal and noise occupy similar frequency bands. Recently, denoising techniques based on deep‐learning convolutional neural networks (CNNs), in which a recorded waveform is decomposed into signal and noise components, have led to improved results. These CNN methods, which use short‐time Fourier transform representations of the time series, provide signal and noise masks for the input waveform. These masks are used to create denoised signal and designaled noise waveforms, respectively. However, advancements in the field of image denoising have shown the benefits of incorporating discrete wavelet transforms (DWTs) into CNN architectures to create multilevel wavelet CNN (MWCNN) models. The MWCNN model preserves the details of the input due to the good time–frequency localization of the DWT. In this report we use a data set of over 382,000 constructed seismograms recorded by the University of Utah Seismograph Stations network to compare the performance of CNN and MWCNN‐based denoising models. Evaluation of both models on constructed test data shows that the MWCNN model outperforms the CNN model in the ability to recover the ground‐truth signal component in terms of both waveform similarity and preservation of amplitude information. Model evaluation of real‐world data shows that both the CNN and MWCNN models outperform standard band‐pass filtering (BPF; average improvement in signal‐to‐noise ratio of 9.6 and 19.7 dB, respectively, with respect to BPF). Evaluation of continuous data suggests the MWCNN denoiser can improve both signal detection capabilities and phase arrival time estimates.

58 GEOSCIENCES↗

PRISMS-Fatigue computational framework for fatigue analysis in polycrystalline metals and alloys

Abstract The PRISMS-Fatigue open-source framework for simulation-based analysis of microstructural influences on fatigue resistance for polycrystalline metals and alloys is presented here. The framework uses the crystal plasticity finite element method as its microstructure analysis tool and provides a highly efficient, scalable, flexible, and easy-to-use ICME community platform. The PRISMS-Fatigue framework is linked to different open-source software to instantiate microstructures, compute the material response, and assess fatigue indicator parameters. The performance of PRISMS-Fatigue is benchmarked against a similar framework implemented using ABAQUS. Results indicate that the multilevel parallelism scheme of PRISMS-Fatigue is more efficient and scalable than ABAQUS for large-scale fatigue simulations. The performance and flexibility of this framework is demonstrated with various examples that assess the driving force for fatigue crack formation of microstructures with different crystallographic textures, grain morphologies, and grain numbers, and under different multiaxial strain states, strain magnitudes, and boundary conditions.

Chemistry↗