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At least 1,027 records · Page 57

Multigrid with Overlapping Patches

Solving boundary value problems with optimal efficiency requires adaptivity and multilevel techniques. Previously, an implementation of the AFACx algorithm is presented that is based on rectangular Cartesian grids. This implementation does not allow for the over]ap of grids that lie on the same level of refinement. We investigate the case in which these grids overlap. A standard technique for overlapping grids is the Schwarz algorithm. Some ways of using the Schwarz algorithm in a standard multigrid scheme are presented. Also, a problem that arises in some situations with non-aligned, overlapping grids is described. This situation comes up in a natural way when the Schwarz algorithm is used as a relaxation scheme within a multilevel algorithm. We identify the reason for the bad convergence and show that by more sophisticated interpolation the difficulties can be overcome. Then we present a multiplicative Schwarz algorithm for a large number of grids that has a high potential for parallelization. Finally we give some numerical results for the FACx algorithm with overlapping grids on each refinement level. The implementation of the described codes uses C++ and the array class libraries A++ and P++. Using the A++/P++ programming environment, it was possible to move from a serial code to a parallel code within a few days.

Berndt, Markus↗

Transonic lifting line theory - Numerical procedure for shock-free flows

An algorithm for computing transonic lifting-line theory without shocks is presented; the numerical procedure relies on two-dimensional analyses developed to solve inviscid flow equations for slender airfoils. From a series of solutions to two-dimensional problems in which span effects appear parametrically, the three-dimensional potential field characterization is obtained. Numerical results are given for a lifting wing with an elliptic (spanwise) distribution of chord and a NACA-0012 cross section (a freestream Mach number of 0.63 and an angle of attack of 2 deg are assumed).

Small, R. D.↗

In-flight determination of spacecraft magnetic bias independent of attitude

A simple algorithm for the in-flight determination of the magnetic bias of a spacecraft is presented. The algorithm, developed for use during the Hubble Space Telescope mission, determines this bias independently of any attitude estimates and requires no spacecraft sensor data other than that from the spacecraft magnetometer(s). Estimates of the algorithm's accuracy and results from a number of numerical studies on the use of this algorithm are also presented.

Davenport, P. B.↗

Pricing and Energy Trading in Peer-to-Peer Zero Marginal-Cost Microgrids

Efforts to utilize 100% renewable energy in community microgrids require new approaches to energy markets and transactions to efficiently address periods of scarce energy supply. In this paper we contribute to the promising approach of peer-to-peer (P2P) energy trading in two main ways: analysis of a centralized, welfare-maximizing economic dispatch that characterizes optimal price and allocations, and a novel P2P system for negotiating energy trades that yields physically feasible and at least weakly Pareto-optimal outcomes. Our main results are 1) that optimal pricing is insufficient to induce agents with batteries to take optimal actions, 2) a novel P2P algorithm to addresses this while keeping private information, 3) a formal proof that this algorithm converges to the centralized solution in the case of two agents negotiating for a single period, and 4) numerical simulations of the P2P algorithm performance with up to 10 agents and 24 periods that show it converges on average to total welfare within 0.1% of the social optimum in on the order of 10s to 100s of iterations, increasing with the number of agents, time periods, and total storage capacity.

batteries↗

A parallel Jacobson-Oksman optimization algorithm

A gradient-dependent optimization technique which exploits the vector-streaming or parallel-computing capabilities of some modern computers is presented. The algorithm, derived by assuming that the function to be minimized is homogeneous, is a modification of the Jacobson-Oksman serial minimization method. In addition to describing the algorithm, conditions insuring the convergence of the iterates of the algorithm and the results of numerical experiments on a group of sample test functions are presented. The results of these experiments indicate that this algorithm will solve optimization problems in less computing time than conventional serial methods on machines having vector-streaming or parallel-computing capabilities.

Straeter, T. A.↗

Numerical simulation of steady and unsteady viscous flow in turbomachinery using pressure based algorithm

The objective of this research is to simulate steady and unsteady viscous flows, including rotor/stator interaction and tip clearance effects in turbomachinery. The numerical formulation for steady flow developed here includes an efficient grid generation scheme, particularly suited to computational grids for the analysis of turbulent turbomachinery flows and tip clearance flows, and a semi-implicit, pressure-based computational fluid dynamics scheme that directly includes artificial dissipation, and is applicable to both viscous and inviscid flows. The values of these artificial dissipation is optimized to achieve accuracy and convergency in the solution. The numerical model is used to investigate the structure of tip clearance flows in a turbine nozzle. The structure of leakage flow is captured accurately, including blade-to-blade variation of all three velocity components, pitch and yaw angles, losses and blade static pressures in the tip clearance region. The simulation also includes evaluation of such quantities of leakage mass flow, vortex strength, losses, dominant leakage flow regions and the spanwise extent affected by the leakage flow. It is demonstrated, through optimization of grid size and artificial dissipation, that the tip clearance flow field can be captured accurately. The above numerical formulation was modified to incorporate time accurate solutions. An inner loop iteration scheme is used at each time step to account for the non-linear effects. The computation of unsteady flow through a flat plate cascade subjected to a transverse gust reveals that the choice of grid spacing and the amount of artificial dissipation is critical for accurate prediction of unsteady phenomena. The rotor-stator interaction problem is simulated by starting the computation upstream of the stator, and the upstream rotor wake is specified from the experimental data. The results show that the stator potential effects have appreciable influence on the upstream rotor wake. The predicted unsteady wake profiles are compared with the available experimental data and the agreement is good. The numerical results are interpreted to draw conclusions on the unsteady wake transport mechanism in the blade passage.

Lakshminarayana, B.↗

An Explicit Upwind Algorithm for Solving the Parabolized Navier-Stokes Equations

An explicit, upwind algorithm was developed for the direct (noniterative) integration of the 3-D Parabolized Navier-Stokes (PNS) equations in a generalized coordinate system. The new algorithm uses upwind approximations of the numerical fluxes for the pressure and convection terms obtained by combining flux difference splittings (FDS) formed from the solution of an approximate Riemann (RP). The approximate RP is solved using an extension of the method developed by Roe for steady supersonic flow of an ideal gas. Roe's method is extended for use with the 3-D PNS equations expressed in generalized coordinates and to include Vigneron's technique of splitting the streamwise pressure gradient. The difficulty associated with applying Roe's scheme in the subsonic region is overcome. The second-order upwind differencing of the flux derivatives are obtained by adding FDS to either an original forward or backward differencing of the flux derivative. This approach is used to modify an explicit MacCormack differencing scheme into an upwind differencing scheme. The second order upwind flux approximations, applied with flux limiters, provide a method for numerically capturing shocks without the need for additional artificial damping terms which require adjustment by the user. In addition, a cubic equation is derived for determining Vegneron's pressure splitting coefficient using the updated streamwise flux vector. Decoding the streamwise flux vector with the updated value of Vigneron's pressure splitting improves the stability of the scheme. The new algorithm is applied to 2-D and 3-D supersonic and hypersonic laminar flow test cases. Results are presented for the experimental studies of Holden and of Tracy. In addition, a flow field solution is presented for a generic hypersonic aircraft at a Mach number of 24.5 and angle of attack of 1 degree. The computed results compare well to both experimental data and numerical results from other algorithms. Computational times required for the upwind PNS code are approximately equal to an explicit PNS MacCormack's code and existing implicit PNS solvers.

Korte, John J.↗

The Kimberlina synthetic multiphysics dataset for CO 2 monitoring investigations

Abstract We present a synthetic multi‐scale, multi‐physics dataset constructed from the Kimberlina 1.2 CO 2 reservoir model based on a potential CO 2 storage site in the Southern San Joaquin Basin of California. Among 300 models, one selected reservoir‐simulation scenario produces hydrologic‐state models at the onset and after 20 years of CO 2 injection. Subsequently, these models were transformed into geophysical properties, including P‐ and S‐wave seismic velocities, saturated density where the saturating fluid can be a combination of brine and supercritical CO 2 , and electrical resistivity using established empirical petrophysical relationships. From these 3D distributions of geophysical properties, we have generated synthetic time‐lapse seismic, gravity and electromagnetic responses with acquisition geometries that mimic realistic monitoring surveys and are achievable in actual field situations. We have also created a series of synthetic well logs of CO 2 saturation, acoustic velocity, density and induction resistivity in the injection well and three monitoring wells. These were constructed by combining the low‐frequency trend of the geophysical models with the high‐frequency variations of actual well logs collected at the potential storage site. In addition, to better calibrate our datasets, measurements of permeability and pore connectivity have been made on cores of Vedder Sandstone, which forms the primary reservoir unit. These measurements provide the range of scales in the otherwise synthetic dataset to be as close to a real‐world situation as possible. This dataset consisting of the reservoir models, geophysical models, simulated time‐lapse geophysical responses and well logs forms a multi‐scale, multi‐physics testbed for designing and testing geophysical CO 2 monitoring systems as well as for imaging and characterization algorithms. The suite of numerical models and data have been made publicly available for downloading on the National Energy Technology Laboratory's (NETL) Energy Data Exchange (EDX) website.

58 GEOSCIENCES↗

Real-time control of connected vehicles in signalized corridors using pseudospectral convex optimization

Recent advances in Connected and Automated Vehicle (CAV) technologies have opened up new opportunities to enable safe, efficient, and sustainable transportation systems. However, developing reliable and rapid speed control algorithms in highly dynamic environments with complex inter-vehicle interactions and nonlinear vehicle dynamics is still a daunting task. In this paper, we develop a novel speed control method for CAVs to produce optimal speed profiles that minimize the fuel consumption and avoid idling at signalized intersections. To this end, an optimal control problem is formulated using the information of the upcoming traffic signal to adapt vehicles' speeds to avoid frequent stop-and-go driving patterns. Here, by applying the pseudospectral discretization method and the sequential convex programming method, the computational efficiency is greatly improved, enabling potential real-time on-vehicle applications. In addition, the algorithm is implemented under a model predictive control framework to ensure online control with instant response for collision avoidance and robust vehicle coordination. The proposed algorithm is verified through numerical simulations of three different traffic scenarios. The convergence and accuracy of the proposed approach are demonstrated by comparing with a popular nonlinear solver. Furthermore, the benefit of the proposed method in both traffic mobility and fuel efficiency is validated using the speed profile determined from a traffic following model in a simulation software as the baseline.

42 ENGINEERING↗

Design of a supervisory control system for autonomous operation of advanced reactors

Advanced reactors to be deployed in the coming decades will face deregulated energy markets, and may adopt flexible operation to boost profitability. To aid in the transition from baseload to flexible operation paradigm, autonomous operation is sought. This work focuses on the control aspect of autonomous operation. Specifically, a hierarchical control system is designed to support constraint enforcement during routine operational transients. Within the system, data-driven modeling, physics-based state observation, and classical control algorithms are integrated to provide an adaptable and robust solution. A 320 MW Fluoride-cooled High-temperature Pebble-bed Reactor is the design basis for demonstrating the proposed control system. The hierarchical control system consists of a supervisory layer and low-level layer. The supervisory layer receives requests to change the system's operating conditions (e.g., the current reactor power to meet a load -follow), and accepts or rejects them based on constraints that have been assigned. Constraints are issued to keep the plant within an optimal operating region. The low-level layer interfaces with the actuators of the system to fulfill requested changes, while maintaining tracking and regulation duties. Further, to accept requests at the supervisory layer, the Reference Governor algorithm was adopted. To model the dynamics of the reactor, a system identification algorithm, Dynamic Mode Decomposition, was utilized. To estimate the evolution of process variables that cannot be directly measured (e.g., the propagation of delayed neutron precursors), the Unscented Kalman Filter, incorporating a nonlinear model of nuclear dynamics, was adopted. The composition of these algorithms led to a numerical demonstration of constraint enforcement during a 40% power drop transient (at a rate of 5 %/min). Uncontrolled secondary-side temperatures were successfully constrained. Adaptability of the proposed system was demonstrated by modifying the constraint values, and enforcing them during the transient. Robustness was also demonstrated by enforcing constraints under noisy environments.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Incentivizing Cooperative Merging Control: Insights from Multi-Agent Deep Reinforcement Learning

Cooperative driving automation enables connected and automated vehicles (CAVs) to devise cooperative merging control, introducing great potentials to alleviate traffic congestion, reduce energy consumption, and enhance safety for highway on-ramp operations. Although numerous CAV cooperative merging algorithms have been developed to improve energy and traffic performance, the agreement-seeking among CAV users and their local benefits have been understudied. This can lead to rejections of cooperative merging plans and jeopardizing CAV performance, as a cooperation may entail certain CAVs to sacrifice their local benefits to achieve a system optimum. To address this issue, the study first leverages multi-agent deep reinforcement learning (MADRL) factoring both local reward and regional reward to demonstrate the discrepancies between CAV users’ local benefits and system optimum. Next, the existence of a correlated equilibrium is proved to characterize the convergence of MADRL training. This further facilitates the incorporation of incentives (computed based on reward discrepancies) to compensate for CAV users’ local benefits and facilitate system-optimal agreements in cooperative merging operations.

Zhou, Anye [ORNL] (ORCID:0000000301455579)↗

Physics constrained learning for data-driven inverse modeling from sparse observations

Deep neural networks (DNN) have been used to model nonlinear relations between physical quantities. Those DNNs are embedded in physical systems described by partial differential equations (PDE) and trained by minimizing a loss function that measures the discrepancy between predictions and observations in some chosen norm. This loss function often includes the PDE constraints as a penalty term when only sparse observations are available. As a result, the PDE is only satisfied approximately by the solution. However, the penalty term typically slows down the convergence of the optimizer for stiff problems. We present a new approach that trains the embedded DNNs while numerically satisfying the PDE constraints. We develop an algorithm that enables differentiating both explicit and implicit numerical solvers in reverse-mode automatic differentiation. This allows the gradients of the DNNs and the PDE solvers to be computed in a unified framework. We demonstrate that our approach enjoys faster convergence and better stability in relatively stiff problems compared to the penalty method. Furthermore, our approach allows for the potential to solve and accelerate a wide range of data-driven inverse modeling, where the physical constraints are described by PDEs and need to be satisfied accurately.

97 MATHEMATICS AND COMPUTING↗

Ultrasonic nondestructive diagnosis of lithium-ion batteries with multiple frequencies

Accurately estimating the state of charge (SoC) in battery management systems (BMSs) requires the measurement of numerous parameters and advanced algorithms. This work studies multifrequency ultrasonic waves to estimate the SoC of Li-ion batteries by sensing the material changes during charge/discharge. A pouch-type LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) graphite battery cell is designed and fabricated with a capacity of 2.4 Ah. Different ultrasonic testing setups are explored to determine the optimal testing parameters for the battery. An ultrasonic monitoring system is developed to monitor the battery during charge/discharge at 750 kHz, 1 MHz, and 1.5 MHz. Signal processing algorithms are proposed for extracting three ultrasonic features—amplitude, wave velocity, and attenuation. In a three-cycle test, the amplitude histories do not show clear correlations with the SoC. The wave velocities of all three frequencies have an approximately linear relationship with the SoC, which can be used for SoC estimation. Hysteresis behavior is observed for the wave velocity in terms of a larger slope in the discharge process and velocity drop after a close charge/discharge cycle. The wave attenuation is able to capture the material phase transitions during charge/discharge.

25 ENERGY STORAGE↗

Harnessing the predicted maize pan-interactome for putative gene function prediction and prioritization of candidate genes for important traits

Abstract The recent assembly and annotation of the 26 maize nested association mapping population founder inbreds have enabled large-scale pan-genomic comparative studies. These studies have expanded our understanding of agronomically important traits by integrating pan-transcriptomic data with trait-specific gene candidates from previous association mapping results. In contrast to the availability of pan-transcriptomic data, obtaining reliable protein–protein interaction (PPI) data has remained a challenge due to its high cost and complexity. We generated predicted PPI networks for each of the 26 genomes using the established STRING database. The individual genome-interactomes were then integrated to generate core- and pan-interactomes. We deployed the PPI clustering algorithm ClusterONE to identify numerous PPI clusters that were functionally annotated using gene ontology (GO) functional enrichment, demonstrating a diverse range of enriched GO terms across different clusters. Additional cluster annotations were generated by integrating gene coexpression data and gene description annotations, providing additional useful information. We show that the functionally annotated PPI clusters establish a useful framework for protein function prediction and prioritization of candidate genes of interest. Our study not only provides a comprehensive resource of predicted PPI networks for 26 maize genomes but also offers annotated interactome clusters for predicting protein functions and prioritizing gene candidates. The source code for the Python implementation of the analysis workflow and a standalone web application for accessing the analysis results are available at https://github.com/eporetsky/PanPPI.

Genetics & Heredity↗

Butterfly Factorization Via Randomized Matrix-Vector Multiplications

This paper presents an adaptive randomized algorithm for computing the butterfly factorization of an m × n matrix with m ≈ n provided that both the matrix and its transpose can be rapidly applied to arbitrary vectors. The resulting factorization is composed of O(log n) sparse factors, each containing O(n) nonzero entries. The factorization can be attained using O(n 3/2 log n) computation and O(n log n) memory resources. Furthermore, the proposed algorithm can be implemented in parallel and can apply to matrices with strong or weak admissibility conditions arising from surface integral equation solvers as well as multi-frontal-based finite-difference, finite-element, or finite-volume solvers. A distributed-memory parallel implementation of the algorithm demonstrates excellent scaling behavior.

97 MATHEMATICS AND COMPUTING↗

Delaunay density diagnostic

The Delaunay density diagnostic helps detect and assess geometric scales within unstructured numerical data sets. The algorithm was first introduced in the paper "Data-driven geometric scale detection via Delaunay interpolation" by Andrew Gillette and Eugene Kur, 2022. More details can be found in that paper, as well as the included README file.

Gillette, AndrewK↗

Impact of Integration Scheme on Performance of Anisotropic Plasticity Models

Given the prevalent role of metals in a variety of industries, schemes to integrate corresponding constitutive models in finite element applications have long been studied. A number of formulations have been developed to accomplish this task; each with their own advantages and costs. Often the focus has been on ensuring the accuracy and numerical stability of these algorithms to enable robust integration. While important, emphasis on these performance metrics may often come at the cost of computational expense potentially neglecting the needs of individual problems. In the current work, the performance of two of the most common integration methods for anisotropic plasticity -- the convex cutting plane (CCP) and closest point projection (CPP) -- across a variety of metrics is assessed; including accuracy and cost. A variety of problems are considered ranging from single elements to large representative simulations including both implicit quasistatic and explicit transient dynamic type responses. The relative performance of each scheme in the different instances is presented with an eye towards guidance on when the different algorithms may be beneficial.

36 MATERIALS SCIENCE↗

A Hybrid Method for Tensor Decompositions that Leverages Stochastic and Deterministic Optimization

In this paper, we propose a hybrid method that uses stochastic and deterministic search to compute the maximum likelihood estimator of a low-rank count tensor with Poisson loss via state-of-theart local methods. Our approach is inspired by Simulated Annealing for global optimization and allows for fine-grain parameter tuning as well as adaptive updates to algorithm parameters. We present numerical results that indicate our hybrid approach can compute better approximations to the maximum likelihood estimator with less computation than the state-of-the-art methods by themselves.

97 MATHEMATICS AND COMPUTING↗