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At least 721 records · Page 40

On ParELAG's Parallel Element-based Algebraic Multigrid and its MFEM Miniapps for H(curl) and H(div) Problems: a report including lowest and next to the lowest order numerical results

This paper presents the utilization of element-based algebraic multigrid (AMGe) hierarchies, implemented in the ParELAG (Parallel Element Agglomeration Algebraic Multigrid Upscaling and Solvers) library, to produce multilevel preconditioners and solvers for H(curl) and H(div) formulations. This involves the construction of hierarchies of compatible nested spaces, forming an exact de Rham sequence on each level. This allows the application of hybrid smoothers on all levels and AMS (Auxiliary-space Maxwell Solver) or ADS (Auxiliary-space Divergence Solver) on the coarsest levels, obtaining complete multigrid cycles. Numerical results are presented, showing the parallel performance of the proposed methods. As a part of the exposition, this paper demonstrates some of the capabilities of ParELAG and outlines some of the components and procedures within the library.

97 MATHEMATICS AND COMPUTING↗

Machine learning Frenkel Hamiltonian parameters to accelerate simulations of exciton dynamics

In this manuscript, we develop multiple machine learning (ML) models to accelerate a scheme for parameterizing site-based models of exciton dynamics from all-atom configurations of condensed phase sexithiophene systems. This scheme encodes the details of a system’s specific molecular morphology in the correlated distributions of model parameters through the analysis of many single-molecule excited-state electronic-structure calculations. These calculations yield excitation energies for each molecule in the system and the network of pair-wise intermolecular electronic couplings. In this work, we demonstrate that the excitation energies can be accurately predicted using a kernel ridge regression (KRR) model with Coulomb matrix featurization. We present two ML models for predicting intermolecular couplings. The first one utilizes a deep neural network and bi-molecular featurization to predict the coupling directly, which we find to perform poorly. The second one utilizes a KRR model to predict unimolecular transition densities, which can subsequently be analyzed to compute the coupling. We find that the latter approach performs excellently, indicating that an effective, generalizable strategy for predicting simple bimolecular properties is through the indirect application of ML to predict higher-order unimolecular properties. Such an approach necessitates a much smaller feature space and can incorporate the insight of well-established molecular physics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of photogrammetric reading error on slope-frequency distributions

The effect of reading error on two hypothetical slope frequency distributions and two slope frequency distributions from actual lunar data in order to ensure that these errors do not cause excessive overestimates of algebraic standard deviations for the slope frequency distributions. The errors introduced are insignificant when the reading error is small and the slope length is large. A method for correcting the errors in slope frequency distributions is presented and applied to 11 distributions obtained from Apollo 15, 16, and 17 panoramic camera photographs and Apollo 16 metric camera photographs.

Moore, H. J.↗

Studies of implicit and explicit solution techniques in transient thermal analysis of structures

Studies aimed at an increase in the efficiency of calculating transient temperature fields in complex aerospace vehicle structures are reported. The advantages and disadvantages of explicit and implicit algorithms are discussed and a promising set of implicit algorithms with variable time steps, known as GEARIB, is described. Test problems, used for evaluating and comparing various algorithms, are discussed and finite element models of the configurations are described. These problems include a coarse model of the Space Shuttle wing, an insulated frame tst article, a metallic panel for a thermal protection system, and detailed models of sections of the Space Shuttle wing. Results generally indicate a preference for implicit over explicit algorithms for transient structural heat transfer problems when the governing equations are stiff (typical of many practical problems such as insulated metal structures). The effects on algorithm performance of different models of an insulated cylinder are demonstrated. The stiffness of the problem is highly sensitive to modeling details and careful modeling can reduce the stiffness of the equations to the extent that explicit methods may become the best choice. Preliminary applications of a mixed implicit-explicit algorithm and operator splitting techniques for speeding up the solution of the algebraic equations are also described.

Adelman, H. M.↗

Comparison of solutions of the Navier-Stokes and interacting boundary layer equations for separated turbulent flow

Comparisons are presented between numerical solutions of the Navier-Stokes and interacting boundary-layer equations for the subsonic separated turbulent flow over an axisymmetric boattail configuration for which experimental data was available. Comparisons were made using a standard algebraic turbulence model and its modification using a streamwise relaxation model. Grid size studies were performed to provide an approximate assessment of the sensitivity of each method to mesh size. In general, good agreement was observed between the solutions of the Navier-Stokes and interacting boundary-layer equations; however, the interaction approach responded more strongly to the modified turbulence model thereby giving better agreement with experimental data.

Vatsa, V. N.↗

Transonic airfoil calculations including wind tunnel wall-interference effects

The results of Reynolds-averaged time-dependent inviscid and turbulent compressible Navier-Stokes computations using the implicit finite-difference approach of Steger (1978), modified by incorporating a pressure boundary condition, (PBC) to account for wall interference are compared with experimental data on a NACA 64A010 airfoil (Johnson and Bachalo, 1980) in graphs and briefly characterized. The computational approach is the same as that used by King and Johnson (1980), but a 137 x 50 mesh is used instead of a 97 x 35 mesh, and special care is taken in resolving the nose, shock, and trailing-edge regions. Imposition of PBC is shown to improve significantly the accuracy of the computations for the flowfield on the upper surface of the airfoil, shifting the shock forward to its experimentally measured position in the case of turbulent flow. The failure of the method, even with PBC, to match the experimental shock location in the case of a flow with a separation bubble is attributed to inadequacies in the algebraic turbulence model employed (Baldwin and Lomax, 1978).

King, L. S.↗

Post-glacial relaxation of a viscously stratified compressible mantle

The postglacial relaxation phenomenon of a viscously compressible nonself-gravitating spherical-shell model is investigated. Analytical solutions to an exponentially depth-dependent viscosity are developed with various types of compressible density models such as those with an exponential dependence of the radius and an algebraic-root dependence of the radius. The solutions of a viscously compressible multilayered model with constant thermodynamic properties and viscosity are developed by the propagator matrix method. The results show that inferences of deep mantle viscosity from postglacial rebound would be hampered by mantle compressibility for long-wavelength harmonics because of the smaller excitation of compressible eigenfunctions in the lower mantle. The relaxation times and velocity fields are more sensitive to higher viscosity contrast for the exponentially varying viscosity than for models with discrete jumps in the viscosity structure.

Wu, J.↗

Least reliable bits coding (LRBC) for high data rate satellite communications

LRBC, a bandwidth efficient multilevel/multistage block-coded modulation technique, is analyzed. LRBC uses simple multilevel component codes that provide increased error protection on increasingly unreliable modulated bits in order to maintain an overall high code rate that increases spectral efficiency. Soft-decision multistage decoding is used to make decisions on unprotected bits through corrections made on more protected bits. Analytical expressions and tight performance bounds are used to show that LRBC can achieve increased spectral efficiency and maintain equivalent or better power efficiency compared to that of BPSK. The relative simplicity of Galois field algebra vs the Viterbi algorithm and the availability of high-speed commercial VLSI for block codes indicates that LRBC using block codes is a desirable method for high data rate implementations.

Vanderaar, Mark↗

On options for interdisciplinary analysis and design optimization

The interdisciplinary optimization of engineering systems is discussed from the standpoint of the computational alternatives available to the designer. The analysis of such systems typically requires the solution of coupled systems of nonlinear algebraic equations. The solution procedure is necessarily iterative in nature. It is shown that the system can be solved by fixed point iteration, by Newton's method, or by a combination of the two. However, the need for sensitivity analysis may affect the choice of analysis solution method. Similarly, the optimization of the system can be formulated in several ways that are discussed in the paper. It is shown that the effect of the topology of the interaction between disciplines is a key factor in the choice of analysis, sensitivity and optimization methods. Several examples are presented to illustrate the discussion.

Haftka, R. T.↗

Bifurcation Analysis Using Rigorous Branch and Bound Methods

For the study of nonlinear dynamic systems, it is important to locate the equilibria and bifurcations occurring within a specified computational domain. This paper proposes a new approach for solving these problems and compares it to the numerical continuation method. The new approach is based upon branch and bound and utilizes rigorous enclosure techniques to yield outer bounding sets of both the equilibrium and local bifurcation manifolds. These sets, which comprise the union of hyper-rectangles, can be made to be as tight as desired. Sufficient conditions for the existence of equilibrium and bifurcation points taking the form of algebraic inequality constraints in the state-parameter space are used to calculate their enclosures directly. The enclosures for the bifurcation sets can be computed independently of the equilibrium manifold, and are guaranteed to contain all solutions within the computational domain. A further advantage of this method is the ability to compute a near-maximally sized hyper-rectangle of high dimension centered at a fixed parameter-state point whose elements are guaranteed to exclude all bifurcation points. This hyper-rectangle, which requires a global description of the bifurcation manifold within the computational domain, cannot be obtained otherwise. A test case, based on the dynamics of a UAV subject to uncertain center of gravity location, is used to illustrate the efficacy of the method by comparing it with numerical continuation and to evaluate its computational complexity.

Smith, Andrew P.↗

A simple and effective five-equation two-phase numerical model for liquid-vapor phase transition in cavitating flows

Numerical difficulties, notably the non-monotonic behavior of the Wood speed of sound and the volume fraction positivity, associated with the reduced five-equation two-phase flow model of Kapila et al. (2001) [A.K. Kapila, R. Menikoff, J.B. Bdzil, S.F. Son, D.S. Stewart, 2001. Two-phase modeling of deflagration-to-detonation transition in granular materials: reduced equations, Physics of Fluids 13(10), 3002–3024] have been resolved in the past through the introduction of a frozen speed of sound and an algebraic approach for mechanical relaxation afforded by a pressure non-equilibrium six-equation model proposed by [R. Saurel, F. Petitpas, R.A. Berry, 2009. Simple and efficient relaxation methods for interfaces separating compressible fluids, cavitating flows and shocks in multiphase mixture, J. Comput. Phys. 228, 1678–1712]. By contrast, it is explored and demonstrated in this work that these difficulties can in fact still be resolved within the numerical scheme for solving the reduced five-equation model by numerically replacing the Wood speed of sound for the estimates of wave speeds in the approximate Riemann solver HLLC with the monotonic mixture speed of sound for a transport five-equation model. For shock interface (artificial mixture separating pure or nearly pure fluids) interaction problems, with the apparent advantage of monotonic behavior of the speed of sound in the interface, the effect of the numerical replacement is also confined to the interface. Differences other than the behavior of the speed of sound within the interface in the solutions due to the replacement diminish with increasing resolution when reasonable solution can be obtained with Wood speed of sound. For cavitating/expansion problems in physical fluid mixture, it is pointed out and explained why acoustics in the numerical solutions still propagate at the Wood speed of sound (therefore consistent with the reduced five-equation model) even though in some cases a much higher speed of sound like the numerical replacement above for solving the reduced five-equation model or the frozen speed of sound for solving a six-equation model is used for the estimates of wave speeds in the HLLC scheme. A variant of the five-equation two-phase flow model by Saurel et al. (2008) [R. Saurel, F. Petitpas, R. Abgrall, 2008. Modelling phase transition in metastable liquids: application to cavitating and flashing flows, J. Fluid Mech. 607, 313–350] is then constructed for liquid-vapor phase transition in cavitating flows. The relaxation toward thermo-chemical equilibrium during phase transition is achieved by solving a simple system of algebraic equations for the equilibrium state variables for better efficiency, following Pelanti and Shyue (2014) [M. Pelanti, K.-M. Shyue, 2014. A mixture-energy-consistent six-equation two-phase numerical model for fluid with interfaces, cavitation and evaporation waves. J. Comput. Phys. 259, 331–357]. Therefore, the current model retains both the simplicity afforded by the five-equation model and the efficiency of the algebraic relaxation solver. An alternative algebraic approach for handling the non-conservative term (the so-called K∇ · u term) in the reduced five-equation model for mechanical equilibrium of a liquid-vapor mixture is also explored by enforcing the thermal equilibrium at the same time. Finally, numerical results of sample tests in both one and two dimensions in the literature as well as that in three dimensions demonstrate the effectiveness and ability of the proposed model to simulate cavitating flows. An interesting mechanism of shock generation by acoustics in water due to phase transition is then found by the numerical simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Finite element method for optimal guidance of an advanced launch vehicle

A temporal finite element based on a mixed form of Hamilton's weak principle is summarized for optimal control problems. The resulting weak Hamiltonian finite element method is extended to allow for discontinuities in the states and/or discontinuities in the system equations. An extension of the formulation to allow for control inequality constraints is also presented. The formulation does not require element quadrature, and it produces a sparse system of nonlinear algebraic equations. To evaluate its feasibility for real-time guidance applications, this approach is applied to the trajectory optimization of a four-state, two-stage model with inequality constraints for an advanced launch vehicle. Numerical results for this model are presented and compared to results from a multiple-shooting code. The results show the accuracy and computational efficiency of the finite element method.

Hodges, Dewey H.↗

The "RED Versa NIR" Plane to Retrieve Broken-Cloud Optical Depth from Ground-Based Measurements"

A new method for retrieving cloud optical depth from ground-based measurements of zenith radiance in the RED and near infrared (MR) spectral regions is introduced. Because zenith radiance does not have a one-to-one relationship with optical depth, it is absolutely impossible to use a monochromatic retrieval. On the other side, algebraic combinations of spectral radiances such as NDCI while largely removing nouniquiness and the radiative effects of cloud inhomogeneity, can result in poor retrievals due to its insensitivity to cloud fraction. Instead, both RED and NIR radiances as points on the 'RED vs. NIR' plane are proposed to be used for retrieval. The proposed retrieval method is applied to Cimel measurements at the Atmospheric Radiation Measurements (ARM) site in Oklahoma. Cimel, a multi-channel sunphotometer, is a part of AERONET - a ground-based network for monitoring aerosol optical properties. The results of retrieval are compared with the ones from Microwave Radiometer (MWR) and Multi-Filter Rotating Shadowband Radiometers (MFRSR) located next to Cimel at the ARM site. In addition, the performance of the retrieval method is assessed using a fractal model of cloud inhomogeneity and broken cloudiness. The preliminary results look very promising both theoretically and from measurements.

Marshak, A.↗

Spur-Gear-System Efficiency at Part and Full Load

A simple method for predicting the part- and full-load power loss of a steel spur gearset of arbitrary geometry supported by ball bearings is described. The analysis algebraically accounts for losses due to gear sliding, rolling traction, and windage in addition to support-ball-bearing losses. The analysis compares favorably with test data. A theoretical comparison of the component losses indicates that losses due to gear rolling traction, windage, and support bearings are significant and should be included along with gear sliding loss in a calculation of gear-system power loss.

Anderson, N. E.↗

A three-dimensional algebraic grid generation scheme for gas turbine combustors with inclined slots

A 3D algebraic grid generation scheme is presented for generating the grid points inside gas turbine combustors with inclined slots. The scheme is based on the 2D transfinite interpolation method. Since the scheme is a 2D approach, it is very efficient and can easily be extended to gas turbine combustors with either dilution hole or slot configurations. To demonstrate the feasibility and the usefulness of the technique, a numerical study of the quick-quench/lean-combustion (QQ/LC) zones of a staged turbine combustor is given. Preliminary results illustrate some of the major features of the flow and temperature fields in the QQ/LC zones. Formation of co- and counter-rotating bulk flow and shape temperature fields can be observed clearly, and the resulting patterns are consistent with experimental observations typical of the confined slanted jet-in-cross flow. Numerical solutions show the method to be an efficient and reliable tool for generating computational grids for analyzing gas turbine combustors with slanted slots.

Yang, S. L.↗

Online Optimization for Networked Distributed Energy Resources With Time-Coupling Constraints

This paper proposes a Lyapunov optimization-based online distributed (LOOD) algorithmic framework for active distribution networks (ADNs) with numerous photovoltaic inverters and inverter air conditionings (IACs). In the proposed scheme, ADNs can track an active power setpoint reference at the substation in response to transmission-level requests while concurrently minimizing the social utility loss and ensuring the security of voltages. Conventional distributed optimization methods are rarely feasible to track the optimal solutions in fast variable environments using a fine-grained sampling interval where the underlying optimization problem evolves with the iterations of the algorithms. In contrast, based on the framework of online convex optimization (OCO), the developed approach uses a distributed algebraic update to compute the next round decisions relying on the current feedback of measurements. Notably, the time-coupling constraints of IACs are decoupled for online implementation with Lyapunov optimization technique. An incentive scheme is tailored to coordinate the customer-owned assets in lieu of the direct control from network operators. Optimality and convergency are characterized analytically. Finally, we corroborate the proposed method on a modified version of 33-node test feeder. Benchmark tests show that the proposed method is computationally and economically efficient, and outperforming existing algorithms.

active distribution networks↗

Multilevel well modeling in aggregation-based nonlinear multigrid for multiphase flow in porous media

A full approximation scheme (FAS) nonlinear multigrid solver for two-phase flow and transport problems driven by wells with multiple perforations is developed here. It is an extension to our previous work on FAS solvers for diffusion and transport problems. The solver is applicable to discrete problems defined on unstructured grids as the coarsening algorithm is aggregation-based and algebraic. To construct coarse basis that can better capture the radial flow near wells, coarse grids in which perforated well cells are not near the coarse-element interface are desired. This is achieved by an aggregation algorithm proposed in this paper that makes use of the location of well cells in the cell-connectivity graph. Numerical examples in which the FAS solver is compared against Newton's method on benchmark problems are given. In particular, for a refined version of the SAIGUP model, the FAS solver is at least 35% faster than Newton's method for time steps with a CFL number greater than 10.

58 GEOSCIENCES↗

Learning physics-based reduced-order models from data using nonlinear manifolds

Here we present a novel method for learning reduced-order models of dynamical systems using nonlinear manifolds. First, we learn the manifold by identifying nonlinear structure in the data through a general representation learning problem. The proposed approach is driven by embeddings of low-order polynomial form. A projection onto the nonlinear manifold reveals the algebraic structure of the reduced-space system that governs the problem of interest. The matrix operators of the reduced-order model are then inferred from the data using operator inference. Numerical experiments on a number of nonlinear problems demonstrate the generalizability of the methodology and the increase in accuracy that can be obtained over reduced-order modeling methods that employ a linear subspace approximation.

97 MATHEMATICS AND COMPUTING↗