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At least 19 records

High Order Anchoring and Reinitialization of Level Set Function for Simulating Interface Motion

A second order interface anchoring method has been developed and used with fast sweeping algorithm for reinitialization of a level set function. The algebraic anchoring formulation ensures that the location of the actual interface is preserved, leading to better mass conservation property. It also provides high order accurate algebraic constraint for solving the Eikonal equation on a finite difference grid. Geometric properties of the interface such as surface normal and curvature are subsequently computed from the reinitialized distance function. Various analytical functions for modeling distortion in level set field are considered and accuracy of reinitialization is evaluated using first and second order anchoring schemes. It is also shown that accurate computation of interface curvature requires a high order anchor in addition to a high order fast sweeping method. Mass conservation property of reinitialization is also analyzed by considering test problems from literature including the classic Rider–Kothe single vortex problem. The formulation is suitable for efficient parallelization for both distributed memory and on-node shared memory parallel systems. In conclusion, scalability and performance of the reinitialization scheme on multiple architectures are demonstrated.

97 MATHEMATICS AND COMPUTING↗

Reinitialization issues in fault tolerant systems

This paper is concerned with the reinitialization of fault tolerant systems in which detection and isolation (FDI) techniques are used, on-line, to identify and compensate for system failures. Specifically, it will focus on FDI techniques which utilize analytic redundancy, arising from a knowledge of the plant dynamics, by analyzing the residuals of a no-fail filter designed on the assumption of no failures. In these types of fault tolerant systems, system failures have to propagate through the no-fail filter dynamics in order to get detected. Therefore, the no-fail filter must be reinitialized after the isolation of a failure so that the accumulated effects of the failure are removed. In this paper, various approaches to this reinitialization problem will be discussed.

Caglayan, A. K.↗

Battery Reinitialization of the Photovoltaic Module of the International Space Station

The photovoltaic (PV) module on the International Space Station (ISS) has been operating since November 2000 and supporting electric power demands of the ISS and its crew of three. The PV module contains photovoltaic arrays that convert solar energy to electrical power and an integrated equipment assembly (IEA) that houses electrical hardware and batteries for electric power regulation and storage. Each PV module contains two independent power channels for fault tolerance. Each power channel contains three batteries in parallel to meet its performance requirements and for fault tolerance. Each battery consists of 76 Ni-Hydrogen (Ni-H2) cells in series. These 76 cells are contained in two orbital replaceable units (ORU) that are connected in series. On-orbit data are monitored and trended to ensure that all hardware is operating normally. Review of on-orbit data showed that while five batteries are operating very well, one is showing signs of mismatched ORUs. The cell pressure in the two ORUs differs by an amount that exceeds the recommended range. The reason for this abnormal behavior may be that the two ORUs have different use history. An assessment was performed and it was determined that capacity of this battery would be limited by the lower pressure ORU. Steps are being taken to reduce this pressure differential before battery capacity drops to the point of affecting its ability to meet performance requirements. As a first step, a battery reinitialization procedure was developed to reduce this pressure differential. The procedure was successfully carried out on-orbit and the pressure differential was reduced to the recommended range. This paper describes the battery performance and the consequences of mismatched ORUs that make a battery. The paper also describes the reinitialization procedure, how it was performed on orbit, and battery performance after the reinitialization. On-orbit data monitoring and trending is an ongoing activity and it will continue as ISS assembly progresses.

Hajela, Gyan↗

A Comparison of Classical and Aggregation-Based Algebraic Multigrid Preconditioners for High-Fidelity Simulation of Wind Turbine Incompressible Flows

This paper presents a comparison of parallel strong scaling performance of classical and aggregation algebraic multigrid (AMG) preconditioners in the context of wind turbine simulations. Fluid motion is governed by the incompressible Navier--Stokes equations, discretized in space with control-volume finite elements and in time with an inexact projection scheme using an implicit integrator. A discontinuous-Galerkin sliding-mesh algorithm captures rotor motion. The momentum equations are solved with iterative Krylov methods, preconditioned by symmetric Gauss--Seidel (SGS) in Trilinos and $\ell_1$ SGS in hypre. The mass-continuity equation is solved with GMRES preconditioned by AMG and can account for the majority of simulation time. Reducing this continuity solve time is crucial. Wind turbine simulations present two unique challenges for AMG preconditioned solvers: the computational meshes include strongly anisotropic elements, and mesh motion requires matrix reinitialization and computation of preconditioners at each time step. Detailed timing profiles are presented and analyzed, and best practices are discussed for both classical and aggregation-based AMG. Results are presented for simulations of two different wind turbines with up to 6 billion grid points on two different computer architectures. For moving mesh problems that require linear-system reinitialization, the well-established strategy of amortizing preconditioner setup costs over a large number of time steps to reduce the solve time is no longer valid. Instead, results show that faster time to solution is achieved by reducing preconditioner setup costs at the expense of linear-system solve costs. Standard smoothed aggregation with Chebyshev relaxation was found to perform poorly when compared with classical AMG in terms of solve time and robustness. However, plain aggregation was comparable to classical AMG.

97 MATHEMATICS AND COMPUTING↗

An adaptive granular representative volume element model with an evolutionary periodic boundary for hierarchical multiscale analysis

The hierarchical multiscale analysis normally utilizes a microscopic representative volume element (RVE) model to capture path/history-dependent macroscopic responses instead of using phenomenological constitutive models. However, for problems involving large deformation, the current RVE model used in geomechanics may lose representative properties due to the progressive distortion of the RVE box, unless a proper reinitialization is applied. This work develops an adaptive RVE model in conjunction with an evolutionary periodic boundary (EPB) algorithm for hierarchical multiscale analysis of granular materials undergoing large deformation based on a recent RVE model proposed for coupling molecular dynamics and the material point method. The proposed adaptive RVE model avoids the reinitialization of the RVE box that even undergoes extremely large shear deformation; meanwhile, it accounts for the deformation history of the RVE model and treats the interaction between boundary particles and other image particles in a more efficient way. Numerical examples with extremely large deformation are used to illustrate the adaptive granular RVE model enhanced by the proposed EPB algorithm. Furthermore, some key features of this new methodology are further discussed for clarification.

42 ENGINEERING↗

Deformation accommodating periodic computational domain for a uniform velocity gradient

Many multiscale methods for granular materials use periodic computational domains to consider particle scale interactions and then calculate the stress to drive the continuum scale calculations. For problems involving large material deformations, the computation domain often needs to be reinitialized because of the distortion, causing the loss of the history information of the system. This work introduces an algorithm to accommodate a large deformation of the material while maintaining the computational domain cuboid to avoid the domain reinitialization during the computation. The algorithm uses a rotating frame of reference, in which the velocity gradient can be represented by an upper triangular matrix. The deformation caused by the upper triangular matrix is treated by the image system implied in the periodicity to maintain the computational domain cuboid. The effect from the rotation of the reference frame is considered using the inertial forces. Finally, simulations of simple and pure shear motions are carried out to illustrate the algorithm.

42 ENGINEERING↗

Advanced Finite-Volume Numerics and Source Term Assumptions for Kernel and G-Equation Modelling of Propane/Air Flames

Here G-Equation models represent propagating flame fronts with an implicit two-dimensional surface representation (level-set). Level-set methods are fast, as transport source terms for the implicit surface can be solved with finite-volume operators on the finite-volume domain, without having to build the actual surface. However, they include approximations whose practical effects are not properly understood. In this study, we improved the numerics of the FRESCO CFD code’s G-Equation solver and developed a new method to simulate kernel growth using signed distance functions and the analytical sphere-mesh overlap. We analyzed their role for simulating propane/air flames, using three well-established constant-volume configurations: a one-dimensional, freely propagating laminar flame; a disc-shaped, constant-volume swirl combustor; and torch-jet flame development through an orifice from a two-chamber device. We tested the explicit (sub-cycled) vs. implicit formulation for the standard transport operators (advection, diffusion, compressibility). In addition to the accurate flame swept-volume method for chemistry and species source term, we developed a more accurate estimator for the burnt/unburnt split cell composition. Then, we developed a signed-distance-function (SDF) based method which provides a more stable reinitialization of the level-set field at every time-step. We found that simplifying assumptions common to several G-Equation implementations, for straightforward terms such as compressibility and advection, lead to large errors in predicting the propagation of even laminar flames, with deviations up to ~300% in simulated vs. formulated flame speed. Conversely, the enhanced numerics enabled through the SDF field reinitialization and improved chemistry source term improve simulation stability and smooth flame propagation even with significantly larger solver time-steps.

42 ENGINEERING↗

Advanced transportation system studies, technical area 3. Alternate propulsion subsystem concepts: J-2S restart study

The objectives were to assess what design changes would be required to remit late production of the J-2S engine for use as a large high energy upper stage engine. The study assessed design changes required to perform per the J-2S model specification, manufacturing changes required due to obsolescence or improvements in state-of-the-practice, availability issues for supplier provided items, and provided cost and schedule estimates for this configuration. The confidence that J-2S production could be reinitiated within reasonable costs and schedules was provided. No significant technical issues were identified in either the producibility study or in the review of previous technical data. Areas of potential cost reduction were identified which could be quantified to a greater extent with further manufacturing planning. The proposed schedule can be met with no foreseeable impacts. The results of the study provided the necessary foundation for the detailed manufacturing and test plans and non-recurring and recurring cost estimates that are needed to complete the effort to reinitiate production of the J-2S engine system.

Vilja, John↗

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↗

A convection-permitting dynamically downscaled dataset over the Midwestern United States

Climate change is expected to have far-reaching effects at both the global and regional scale, but local effects are difficult to determine from coarse-resolution climate studies. Dynamical downscaling can provide insight into future climate projections on local scales. Here, we present a new dynamically downscaled dataset for Indiana and the surrounding regions. Output from the Community Earth System Model (CESM) version 1 is downscaled using the Weather Research and Forecasting model (WRF). Simulations are run with a 24-hr reinitialization strategy and a 12-hr spin-up window. WRF output is bias corrected to the National Centers for Environmental Protection/National Center for Atmospheric Research 40-year Reanalysis project (NCEP) using a modified quantile mapping method. Bias-corrected 2-m air temperature and accumulated precipitation are the initial focus, with additional variables planned for future releases. Regional climate change signals agree well with larger global studies, and local fine-scaled features are visible in the resulting dataset, such as urban heat islands, frontal passages, and orographic temperature gradients. This high-resolution climate dataset could be used for down-stream applications focused on impacts across the domain, such as urban planning, energy usage, water resources, agriculture and public health.

54 ENVIRONMENTAL SCIENCES↗

Crystal plasticity model of residual stress in additive manufacturing using the element elimination and reactivation method

Selective laser melting is receiving increasing interest as an additive manufacturing technique. Residual stresses induced by the large temperature gradients and inhomogeneous cooling process can favour the generation of cracks. In this work, a crystal plasticity finite element model is developed to simulate the formation of residual stresses and to understand the correlation between plastic deformation, grain orientation and residual stresses in the additive manufacturing process. The temperature profile and grain structure from thermal-fluid flow and grain growth simulations are implemented into the crystal plasticity model. An element elimination and reactivation method is proposed to model the melting and solidification and to reinitialize state variables, such as the plastic deformation, in the reactivated elements. The accuracy of this method is judged against previous method based on the stiffness degradation of liquid regions by comparing the plastic deformation as a function of time induced by thermal stresses. The method is used to investigate residual stresses parallel and perpendicular to the laser scan direction, and the correlation with the maximum Schmid factor of the grains along those directions. The magnitude of the residual stress can be predicted as a function of the depth, grain orientation and position with respect to the molten pool. The simulation results are directly comparable to X-ray diffraction experiments and stress–strain curves.

316 stainless steel↗

Rapid recovery of invasive wild pig (Sus scrofa) populations following density reduction

Abstract Trapping is an effective strategy for control of invasive wild pig (Sus scrofa), but eradication of populations via trapping alone typically is impractical throughout much of the species’ introduced range. Consequently, recovery of wild pig populations to pre-trapping levels following control is a major impediment to success of long-term control. In this study, we conducted camera-trap surveys to monitor recovery of two wild pig populations immediately following density reductions achieved via trapping on two sites on the Savannah River Site, SC. We used spatial capture-recapture models to estimate wild pig density during seven 3 week periods spanning 12 months to: (1) determine the time required for populations to recover to pre-trapping levels; and (2) evaluate trends in population growth, density, and distribution during recovery. Recovery of both wild pig populations started immediately after trapping ceased, with populations reaching pre-trapping levels in 3 and 5 months. Threeweek population growth rates for each wild pig population during recovery averaged 1.28 (range = 1.11–1.39 on site 1) and 1.24 (range = 0.64–1.92 on site 2), which corresponded to a 345% and 132% increase in abundance (an increase of 141 and 126 individual wild pigs on site 1 and 2, respectively) of each population by the last survey period. Rapid recovery and growth beyond pre-trapping levels of wild pig populations likely were driven by residual wild pigs not removed by trapping and compensatory reproduction and immigration. Our study is one of the first to provide information on how quickly wild pig populations can recover following overall density reductions of 54–68% and indicates practitioners should be prepared to reinitiate trapping efforts in as little as 3 months to prevent recovery of wild pig populations following control.

Biodiversity & Conservation↗

Emulation and detection of physical faults and cyber-attacks on building energy systems through real-time hardware-in-the-loop experiments

The increasing use of remote or mobile access, integrated wearable technologies, data exchange, and cloud-based data analytics in modern smart buildings is steering the building industry towards open communication technologies. The increased connectivity and accessibility could lead to more cyber-attacks in smart buildings. On the other hand, physical faults (e.g., HVAC -heating, ventilation, and air-conditioning faults) may have similar adverse impacts as those from the cyber-attacks on building energy systems, such as occupant discomfort, energy wastage, and equipment downtime. However, current physical behavior-based anomaly detection methods fail to differentiate between cyber-attacks and physical faults in building energy systems. Moreover, the challenge in collecting real-world threat data with ground truth has led researchers to rely on numerical models with user-defined assumptions, which may not accurately reflect real-world conditions due to the lack of in-situ experimental datasets. To address these challenges and gaps, this paper presents a flexible hardware-in-the-loop (HIL) testbed for generating cyber-attack and physical fault datasets and demonstrating threat detection algorithms in a real building automation system (BAS) environment. This testbed combines hardware (i.e., real BAS with local HVAC controllers and a physical network) with software (i.e., high-fidelity models to represent behaviors of building envelope and HVAC energy systems), enabling emulations of realistic threats. Five HIL experiments, including one baseline without any threats, two with physical faults, and two with cyber-attacks, were conducted to generate datasets containing detailed network traffic and system states. A joint classification framework, incorporating a network analyzer and a physical HVAC fault detector, was proposed to automatically detect cyber-physical abnormalities on BAS at both the network and the physical HVAC levels. The network analyzer comprises a conditional random fields (CRF) based command validator and a statistics-based detection strategy. The fault detector employs a weather and schedule-based pattern matching and feature-based principal component analysis (WPM-FPCA) method. Evaluation of the classification using four metrics from the multi-class confusion matrix revealed an average accuracy of 90.2%, recall of 89.7%, precision of 88.5% and F1-score of 89.2%. Finally, these results demonstrate that the proposed joint classification framework can effectively differentiate between specific types of cyber-attacks (e.g., device reinitialization attack, network Denial-of-Service attack) and physical faults (e.g., air handling unit operational fault, cooling coil valve stuck) in real time for improved building energy management.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Block Copolymer Sequence Inversion through Photoiniferter Polymerization

Block copolymers prepared by reversible addition–fragmentation chain transfer (RAFT) polymerization are often restricted to a specific comonomer blocking sequence that is dictated by intermediate radical stability and relative radical leaving group abilities. Techniques that provide alternative pathways for reinitiation of thiocarbonylthio-terminated polymers could allow access to block copolymer sequences currently unobtainable through the RAFT process. In this paper, we report a method for preparing “inverted” block copolymers, whereby the traditional order of monomer addition has been reversed through the use of photoiniferter-mediated radical polymerization. Specifically, thiocarbonylthio photolysis of xanthate- and dithiocarbamate-functional macromolecular chain transfer agents (macro-CTAs) led to the direct formation of leaving group macroradicals otherwise unaffordable by an addition–fragmentation mechanism. We believe this method could provide a route to synthesize multiblock copolymers of synthetically challenging comonomer sequences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Entangling-gate error from coherently displaced motional modes of trapped ions

Entangling gates in trapped-ion quantum computers are most often applied to stationary ions with initial motional distributions that are thermal and close to the ground state, while those demonstrations that involve transport generally use sympathetic cooling to reinitialize the motional state prior to applying a gate. Future systems with more ions, however, will face greater nonthermal excitation due to increased amounts of ion transport and exacerbated by longer operational times and variations over the trap array. In addition, pregate sympathetic cooling may be limited due to time costs and laser access constraints. In this paper, we analyze the impact of such coherent motional excitation on entangling-gate error by performing simulations of Mølmer-Sørenson (MS) gates on a pair of trapped-ion qubits with both thermal and coherent excitation present in a shared motional mode at the start of the gate. Here, we quantify how a small amount of coherent displacement erodes gate performance in the presence of experimental noise, and we demonstrate that adjusting the relative phase between the initial coherent displacement and the displacement induced by the gate or using Walsh modulation can suppress this error. We then use experimental data from transported ions to analyze the impact of coherent displacement on MS-gate error under realistic conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Stochastic Approximation for Multi-period Simulation Optimization with Streaming Input Data

We consider a continuous-valued simulation optimization (SO) problem, where a simulator is built to optimize an expected performance measure of a real-world system while parameters of the simulator are estimated from streaming data collected periodically from the system. At each period, a new batch of data is combined with the cumulative data and the parameters are re-estimated with higher precision. The system requires the decision variable to be selected in all periods. Therefore, it is sensible for the decision-maker to update the decision variable at each period by solving a more precise SO problem with the updated parameter estimate to reduce the performance loss with respect to the target system. We define this decision-making process as the multi-period SO problem and introduce a multi-period stochastic approximation (SA) framework that generates a sequence of solutions. Two algorithms are proposed: Re-start SA (ReSA) reinitializes the stepsize sequence in each period, whereas Warm-start SA (WaSA) carefully tunes the stepsizes, taking both fewer and shorter gradient-descent steps in later periods as parameter estimates become increasingly more precise. We show that under suitable strong convexity and regularity conditions, ReSA and WaSA achieve the best possible convergence rate in expected sub-optimality either when an unbiased or a simultaneous perturbation gradient estimator is employed, while WaSA accrues significantly lower computational cost as the number of periods increases. In addition, we present the regularized ReSA, which obviates the need to know the strong convexity constant and achieves the same convergence rate at the expense of additional computation.

Computer Science↗

Evaluating the performance of WRF urban schemes and PBL schemes over Dallas-Fort Worth during a dry summer and a wet summer

This study evaluated the Weather Research and Forecasting (WRF) model sensitivity to different planetary boundary layer (PBL) schemes (the YSU and MYJ schemes) and urban schemes including the bulk scheme (BULK), single-layer urban canopy model (UCM), multi-layer building environment parameterization (BEP) model, and multi-layer building energy model (BEM). Daily reinitialization simulations were conducted over Dallas-Fort Worth during a dry summer month (July 2011) and a wet summer month (July 2015) with weaker (stronger) daytime (nocturnal) UHI in 2011 than 2015. All urban schemes overestimated the urban daytime 2m temperature in both summers, but BEP and BEM still reproduced the daytime urban cool island in dry summer. All urban schemes reproduced the nocturnal urban heat island, with BEP producing the weakest one due to its unrealistic urban cooling. BULK and UCM overestimated the urban canopy wind speed, while BEP and BEM underestimated it. The urban schemes showed prominent impact on daytime PBL profiles. UCM+MYJ showed a superior performance than other configurations. The relatively large (small) aspect ratio between building height and road width in UCM (BEM) was responsible for the overprediction (underprediction) of urban canopy temperature. The relatively low (high) building height in UCM (BEM) was responsible for the overprediction (underprediction) of urban canopy wind speed. Improving urban schemes and providing realistic urban parameters were critical for improving urban canopy simulation.

54 ENVIRONMENTAL SCIENCES↗

Compare linear-system solver and preconditioner stacks with emphasis on GPU performance and propose phase-2 NGP solver development pathway

The goal of the ExaWind project is to enable predictive simulations of wind farms comprised of many megawatt-scale turbines situated in complex terrain. Predictive simulations will require computational fluid dynamics (CFD) simulations for which the mesh resolves the geometry of the turbines and captures the rotation and large deflections of blades. Whereas such simulations for a single turbine are arguably petascale class, multi-turbine wind farm simulations will require exascale-class resources. The primary physics codes in the ExaWind project are Nalu-Wind, which is an unstructured-grid solver for the acoustically incompressible Navier-Stokes equations, and OpenFAST, which is a whole-turbine simulation code. The Nalu-Wind model consists of the mass-continuity Poisson-type equation for pressure and a momentum equation for the velocity. For such modeling approaches, simulation times are dominated by linear-system setup and solution for the continuity and momentum systems. For the ExaWind challenge problem, the moving meshes greatly affect overall solver costs as reinitialization of matrices and recomputation of preconditioners is required at every time step. In this report we evaluated GPU-performance baselines for the linear solvers in the Trilinos and hypre solver stacks using two representative Nalu-Wind simulations: an atmospheric boundary layer precursor simulation on a structured mesh, and a fixed-wing simulation using unstructured overset meshes. Both strong-scaling and weak-scaling experiments were conducted on the OLCF supercomputer Summit and similar proxy clusters. We focused on the performance of multi-threaded Gauss-Seidel and two-stage Gauss-Seidel that are extensions of classical Gauss-Seidel; of one-reduce GMRES, a communication-reducing variant of the Krylov GMRES; and algebraic multigrid methods that incorporate the afore-mentioned methods. The team has established that AMG methods are capable of solving linear systems arising from the fixed-wing overset meshes on CPU, a critical intermediate result for ExaWind FY20 Q3 and Q4 milestones. For the fixed-wing strong-scaling study (model with 3M grid-points), the team identified that Nalu-Wind simulations with the new Trilinos and hypre solvers scale to modest GPU counts, maintaining above 70% efficiency up to 6 GPUs. However, there still remain significant bottlenecks to performance: matrix assembly (hypre), AMG setup (hypre and Trilinos) In the weak-scaling experiments (going from 0.4M to 211M gridpoints), it's shown that the solver apply phases are faster on GPUs, but that Nalu-Wind simulation times grow, primarily due to the multigrid-setup process. Finally, based on the report outcomes, we propose a linear solver path-forward for the remainder of the ExaWind project. Near term, the NREL team will continue their work on GPU-based linear-system assembly. They will also investigate how the use of alternatives to the NVIDIA UVM (unified virtual memory) paradigm affects performance. Longer term, the NREL team will evaluate algorithmic performance on other types of accelerators and merge their improvements back to the main hypre repository branch. Near term, the Trilinos team will address performance bottlenecks identified in this milestone, such as implementing a GPU-based segregated momentum solve and reusing matrix graphs across linear-system assembly phases. Longer term, the Trilinos team will do detailed analysis and optimization of multigrid setup.

17 WIND ENERGY↗