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NASA NTRS1993

Coupling Finite Element and Integral Equation Representations To Efficiently Model Large Three-Dimensional Scattering Objects

The usefulness of finite element modeling follows from the ability to accurately simulate the gemetry and three-dimensional fields on the scale of a fraction of a wavelength. To make this meodelling practical for engineering design,it is necessary to integrate the stages of geometry modeling and mesh generation, numbeical solution and display of fields.

Integral Equations Finite Element↗

DOE OSTI2021

Physics-Informed Machine Learning Models for Predicting the Progress of Reactive-Mixing

This paper presents a physics-informed machine learning (ML) framework to construct reduced-order models (ROMs) for reactive-transport quantities of interest (QoIs) based on high-fidelity numerical simu-lations. QoIs include species decay, product yield, and degree of mixing. The ROMs for QoIs are applied to quantify and understand how the chemical species evolve over time. First, high-resolution datasets for constructing ROMs are generated by solving anisotropic reaction-di?usion equations using a non-negative finite element formulation for di?erent input parameters. The reactive-mixing model input parameters are: time-scale associated with flipping of velocity, spatial-scale controlling small/large vortex structures of velocity, perturbation parameter of the vortex-based velocity, anisotropic dispersion strength/contrast, and molecular diffusion. Second, random forests, F-test, and mutual information criterion are used to evaluate the importance of model inputs/features with respect to QoIs. We observed that anisotropic dispersion strength/contrast is the most important feature and time-scale associated with flipping of velocity is the least important feature. Third, Support Vector Machines (SVM) and Support Vector Regression (SVR) are used to construct ROMs based on the model inputs. The constructed SVR-ROMs are then used to predict scaling of QoIs. We also present estimates and inequalities on the QoIs, which inform that the species decay, mix, and produce in an exponential fashion. These inequalities also inform that a radial basis function is the most suitable kernel for the SVM/SVR models for QoIs. It is observed that R2-score for SVR-ROMs on unseen data is greater than 0.9, implying that the SVR-ROMs are able to predict the reaction-diffusion system state reasonably well. Finally, in terms of the computational cost, the proposed SVM-ROMs are O(107) times faster than running a high-fidelity finite element simulation for evaluating QoIs. This makes the proposed ML-based ROMs attractive for reactive-transport sensing and real-time monitoring applications as they are significantly faster yet reasonably accurate.

Mudunuru, Maruti K.↗

NASA NTRS2000

Ordering Unstructured Meshes for Sparse Matrix Computations on Leading Parallel Systems

The ability of computers to solve hitherto intractable problems and simulate complex processes using mathematical models makes them an indispensable part of modern science and engineering. Computer simulations of large-scale realistic applications usually require solving a set of non-linear partial differential equations (PDES) over a finite region. For example, one thrust area in the DOE Grand Challenge projects is to design future accelerators such as the SpaHation Neutron Source (SNS). Our colleagues at SLAC need to model complex RFQ cavities with large aspect ratios. Unstructured grids are currently used to resolve the small features in a large computational domain; dynamic mesh adaptation will be added in the future for additional efficiency. The PDEs for electromagnetics are discretized by the FEM method, which leads to a generalized eigenvalue problem Kx = AMx, where K and M are the stiffness and mass matrices, and are very sparse. In a typical cavity model, the number of degrees of freedom is about one million. For such large eigenproblems, direct solution techniques quickly reach the memory limits. Instead, the most widely-used methods are Krylov subspace methods, such as Lanczos or Jacobi-Davidson. In all the Krylov-based algorithms, sparse matrix-vector multiplication (SPMV) must be performed repeatedly. Therefore, the efficiency of SPMV usually determines the eigensolver speed. SPMV is also one of the most heavily used kernels in large-scale numerical simulations.

Oliker, Leonid↗

NASA NTRS2006

Structural Analysis and Testing of the Inflatable Re-entry Vehicle Experiment (IRVE)

The Inflatable Re-entry Vehicle Experiment (IRVE) is a 3.0 meter, 60 degree half-angle sphere cone, inflatable aeroshell experiment designed to demonstrate various aspects of inflatable technology during Earth re-entry. IRVE will be launched on a Terrier-Improved Orion sounding rocket from NASA s Wallops Flight Facility in the fall of 2006 to an altitude of approximately 164 kilometers and re-enter the Earth s atmosphere. The experiment will demonstrate exo-atmospheric inflation, inflatable structure leak performance throughout the flight regime, structural integrity under aerodynamic pressure and associated deceleration loads, thermal protection system performance, and aerodynamic stability. Structural integrity and dynamic response of the inflatable will be monitored with photogrammetric measurements of the leeward side of the aeroshell during flight. Aerodynamic stability and drag performance will be verified with on-board inertial measurements and radar tracking from multiple ground radar stations. In addition to demonstrating inflatable technology, IRVE will help validate structural, aerothermal, and trajectory modeling and analysis techniques for the inflatable aeroshell system. This paper discusses the structural analysis and testing of the IRVE inflatable structure. Equations are presented for calculating fabric loads in sphere cone aeroshells, and finite element results are presented which validate the equations. Fabric material properties and testing are discussed along with aeroshell fabrication techniques. Stiffness and dynamics tests conducted on a small-scale development unit and a full-scale prototype unit are presented along with correlated finite element models to predict the in-flight fundamental mod

Lindell, Michael C.↗

NASA NTRS1977

Neutrally stable atmospheric flow over a two-dimensional rectangular block

The phenomena of atmospheric flow over a two dimensional surface obstruction such as a building modeled as a rectangular block are analyzed by an approach using the Navier-Stokes equations with a two equation model of turbulence. The partial differential equations for the vorticity, stream function, turbulence kinetic energy, and turbulence length scale are solved by a finite difference technique. The predicted results are in agreement with the limited experimental data available. Current computed results show that the separation bubble originates from the upper front corner of the block and extends approximately 11.5 block heights behind the block. The decay of the mean velocity along the wake center line coincides almost perfectly with the experimental data. The vertical profiles of the mean velocity defect are also in reasonable agreement with wind tunnel results. Velocity profiles in the mixing region are shown to agree with the error function profile typically found in the shear layer. Details of the behavior of the turbulence kinetic energy and the turbulence length scale are also discussed.

Shieh, C. F.↗

NASA NTRS1981

Numerical solutions of atmospheric flow over semielliptical simulated hills

Atmospheric motion over obstacles on plane surfaces to compute simulated wind fields over terrain features was studied. Semielliptical, two dimensional geometry and numerical simulation of flow over rectangular geometries is also discussed. The partial differential equations for the vorticity, stream function, turbulence kinetic energy, and turbulence length scale were solved by a finite difference technique. The mechanism of flow separation induced by a semiellipse is the same as flow over a gradually sloping surface for which the flow separation is caused by the interaction between the viscous force, the pressure force, and the turbulence level. For flow over bluff bodies, a downstream recirculation bubble is created which increases the aspect ratio and/or the turbulence level results in flow reattachment close behind the obstacle.

Shieh, C. F.↗

NASA NTRS1993

Efficient Minimum-Polynomial And Reduced-Rank Extrapolation

MPERRE computer program accelerates convergence of sequence of vectors by use of minimum-polynomial extrapolation (MPE) and reduced-rank extrapolation (RRE). Effective in accelerating convergences of such sequences of vectors as those obtained from iterative solution of systems of linear and nonlinear equations. In conjunction with various iterative techniques, successfully employed in finite-difference solution of large-scale elliptic boundary-value problems and problems in computational-fluid-dynamics. Only input required is sequence of vectors, convergence of which is accelerated. Program economical and easy to use. Written in FORTRAN 77.

Sidi, Avram↗

DOE OSTI2020

Performance Evaluation of a Two-Dimensional Flood Model on Heterogeneous High-Performance Computing Architectures

This paper describes the implementation of a two-dimensional hydrodynamic flood model with two different numerical schemes on heterogeneous high-performance computing architectures. Both schemes were able to solve the nonlinear hyperbolic shallow water equations using an explicit upwind first-order approach on finite differences and finite volumes, respectively, and were conducted using MPI and CUDA. Four different test cases were simulated on the Summit supercomputer at Oak Ridge National Laboratory. Both numerical schemes scaled up to 128 nodes (768 GPUs) with a maximum 98.2x speedup of over 1 GPU. The lowest run time for the 10 day Hurricane Harvey event simulation at 5 meter resolution (272 million grid cells) was 50 minutes. GPUDirect communication proved to be more convenient than the standard communication strategy. Both strong and weak scaling are shown.

Sharif, Md Bulbul↗

DOE OSTI2022

A fast matrix-free approach to the high-order control volume finite element method with application to low-Mach flow

Here, a fast matrix-free formulation of the control volume finite element method is presented, requiring much less memory and computational work than previous efforts. The method is implemented and evaluated as a solver for low-Mach flow, including the evaluation of a preconditioning strategy for the pressure Poisson equation. The efficiency and scaling with polynomial order is evaluated on simple turbulent flows of interest, with appropriate solution quality metrics, and compared with a reference node-centered finite volume discretization. For a turbulent channel flow test, we show improvement in computational work for a given accuracy with the high-order scheme. The performance on a GPU accelerated platform is also investigated, with benefit shown for the matrix-free discretization.

42 ENGINEERING↗

DOE OSTI2022

Multiscale modeling and nonlinear model predictive control for flue gas desulfurization

The primary source of sulfur dioxide (SO 2 ) emissions is flue gas from fossil fuels-based power plants. SO 2 emissions are known to not only cause health issues, but also have an adverse effect on the environment in various ways. Several Flue Gas Desulfurization (FGD) technologies have been incorporated in power plants. The most popular technology is Wet FGD, where a limestone slurry is used to absorb SO 2 from the flue gas. A detailed droplet scale model describing the instantaneous and finite rate chemistry is developed. The ill-posed Differential-Algebraic Equation (DAE) droplet model is reformulated to a well-posed index-1 DAE through index reduction. The droplet model is integrated with the bulk phase by incorporating gas-liquid mass transfer, and an oxidation reactor model to simulate the dynamic operation of the counter-current spray scrubber. As a result, the model has a well-conditioned Jacobian and overcomes the modeling challenges of previous works and enables numerical solution without requiring carefully selected initialization or specialized solution procedures. The model is successfully validated using power plant measurements, and nonlinear model predictive control (NMPC) studies are demonstrated to optimize recycle stream flowrates to minimize pumping costs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1989

A case study using kinematic quantities derived from a triangle of VHF Doppler wind profilers

Horizontal divergence, relative vorticity, kinematic vertical velocity, and geostrophic and ageostrophic winds are computed from Colorado profiler network data to investigate an upslope snowstorm in northeastern Colorado. Horizontal divergence and relative vorticity are computed using the Gauss and Stokes theorems, respectively. Kinematic vertical velocities are obtained from the surface to 9 km by vertically integrating the continuity equation. The geostrophic and ageostrophic winds are computed by applying a finite differencing technique to evaluate the derivatives in the horizontal equations of motion. Comparison of the synoptic-scale data with the profiler network data reveals that the two datasets are generally consistent. Also, the profiler-derived quantities exhibit coherent vertical and temporal patterns consistent with conceptual and theoretical flow fields of various meteorological phenomena. It is suggested that the profiler-derived quantities are of potential use to weather forecasters in that they enable the dynamic and kinematic interpretation of weather system structure to be made and thus have nowcasting and short-term forecasting value.

Carlson, Catherine A.↗

DOE OSTI2021

Numerical solution of large scale Hartree–Fock–Bogoliubov equations

The Hartree–Fock–Bogoliubov (HFB) theory is the starting point for treating superconducting systems. However, the computational cost for solving large scale HFB equations can be much larger than that of the Hartree–Fock equations, particularly when the Hamiltonian matrix is sparse, and the number of electrons N is relatively small compared to the matrix size N b . We first provide a concise and relatively self-contained review of the HFB theory for general finite sized quantum systems, with special focus on the treatment of spin symmetries from a linear algebra perspective. We then demonstrate that the pole expansion and selected inversion (PEXSI) method can be particularly well suited for solving large scale HFB equations. For a Hubbard-type Hamiltonian, the cost of PEXSI is at most $\mathcal{O}$(N b 2 ) for both gapped and gapless systems, which can be significantly faster than the standard cubic scaling diagonalization methods. We show that PEXSI can solve a two-dimensional Hubbard-Hofstadter model with N b up to 2.88 × 10 6 , and the wall clock time is less than 100 s using 17 280 CPU cores. Finally, this enables the simulation of physical systems under experimentally realizable magnetic fields, which cannot be otherwise simulated with smaller systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

High-Fidelity Simulations of Gravity Currents Using a High-Order Finite-Difference Spectral Vanishing Viscosity Approach

This numerical work investigates the potential of a high-order finite-difference spectral vanishing viscosity approach to simulate gravity currents at high Reynolds numbers. The method introduces targeted numerical dissipation at small scales through altering the discretisation of the second derivatives of the viscous terms in the incompressible Navier-Stokes equations to mimic the spectral vanishing viscosity (SVV) operator, originally designed for the regularisation of spectral element method (SEM) solutions of pure advection problems. Using a sixth-order accurate finite-difference scheme, the adoption of the SVV method is straightforward and comes with a negligible additional computational cost. In order to assess the ability of this high-order finite-difference spectral vanishing viscosity approach, we performed large-eddy simulations (LES) of a gravity current in a channelised lock-exchange set-up with our SVV model and with the well-known explicit static and dynamic Smagorinsky sub-grid scale (SGS) models. The obtained data are compared with a direct numerical simulation (DNS) based on more than 800 million mesh nodes, and with experimental measurements. A framework for the energy budget is introduced to investigate the behaviour of the gravity current. First, it is found that the DNS is in good agreement with the experimental data for the evolution of the front location and velocity field as well as for the stirring and mixing inside the gravity current. Secondly, the LES performed with less than 0.4% of the total number of mesh nodes compared to the DNS, can reproduce the main features of the gravity currents, with the SVV model yielding slightly more accurate results. It is also found that the dynamic Smagorinsky model performs better than its static version. For the present study, the static and dynamic Smagorinsky models are 1.8 and 2.5 times more expensive than the SVV model, because the latter does not require the calculation of explicit SGS terms in the Navier-Stokes equations nor spatial filtering operations.

direct numerical simulation↗

NASA NTRS2000

Viscoelastic flow modeling in the extrusion of a dough-like fluid

This work attempts to investigate the effect of viscoelasticity and three-dimensional geometry in screw channels. The Phan-Thien Tanner (PTT) constitutive equation with simplified model parameters was solved in conjunction with the flow equations. Polyflow, a commercially available finite element code was used to solve the resulting nonlinear partial differential equations. The PTT model predicted one log scale lower pressure buildup compared to the equivalent Newtonian results. However, the velocity profile did not show significant changes for the chosen PTT model parameters. Past Researchers neglected viscoelastic effects and also the three dimensional nature of the flow in extruder channels. The results of this paper provide a starting point for further simulations using more realistic model parameters, which may enable the food engineer to more accurately scale-up and design extrusion processes.

NASA Discipline Life Support Systems↗

NASA NTRS1995

Full-Scale Direct Numerical Simulation of Two- and Three-Dimensional Instabilities and Rivulet Formulation in Heated Falling Films

A thin film draining on an inclined plate has been studied numerically using finite element method. Three-dimensional governing equations of continuity, momentum and energy with a moving boundary are integrated in an arbitrary Lagrangian Eulerian frame of reference. Kinematic equation is solved to precisely update interface location. Rivulet formation based on instability mechanism has been simulated using full-scale computation. Comparisons with long-wave theory are made to validate the numerical scheme. Detailed analysis of two- and three-dimensional nonlinear wave formation and spontaneous rupture forming rivulets under the influence of combined thermocapillary and surface-wave instabilities is performed.

Krishnamoorthy, S.↗

DOE OSTI2022

Modelling of electrostatic ion-scale turbulence in divertor tokamaks with the gyrokinetic code $\mathrm{COGENT}$

Here, continuum gyrokinetic simulations of electrostatic ion scale turbulence are presented for the case of a diverted (single-null) tokamak geometry. The simulation model, implemented in the finite-volume code COGENT, solves the long-wavelength limit of the full-F gyrokinetic equation for ion species coupled to a vorticity equation for electrostatic potential variations, where a fluid model is used for an electron response. The model describes the ion scale ion temperature gradient (ITG) and resistive drift modes as well as neoclassical ion physics effects. Different turbulence regimes are observed depending on the plasma profiles, and the roles of a self-consistent background electric field and an X-point geometry are explored. In particular, increasing the pedestal density gradient and the corresponding radial electric field is demonstrated to suppress the ITG turbulence, whereas the same edge plasma background can still be destabilized by the resistive modes when the plasma resistivity is increased. The effects of X-point geometry are assessed by comparing cross-separatrix simulations with counterpart calculations performed for a toroidal annulus geometry. For the simulation parameters considered, similar global behaviour is observed in both cases, whereas strong local suppression of turbulence fluctuations is demonstrated near the X-point for the case of a single-null geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1981

The algebraic theory of latent projectors in lambda matrices

Multivariable systems such as a finite-element model of vibrating structures, control systems, and large-scale systems are often formulated in terms of differential equations which give rise to lambda matrices. The present investigation is concerned with the formulation of the algebraic theory of lambda matrices and the relationship of latent roots, latent vectors, and latent projectors to the eigenvalues, eigenvectors, and eigenprojectors of the companion form. The chain rule for latent projectors and eigenprojectors for the repeated latent root or eigenvalues is given.

Denman, E. D.↗

NASA NTRS1991

Seals Research at Texas A/M University

The Turbomachinery Laboratory at Texas A&M has been providing experimental data and computational codes for the design seals for many years. The program began with the development of a Halon based seal test rig. This facility provided information about the effective stiffness and damping in whirling seals. The Halon effectively simulated cryogenic fluids. Another test facility was developed (using air as the working fluid) where the stiffness and damping matrices can be determined. This data was used to develop bulk flow models of the seal's effect upon rotating machinery; in conjunction with this research, a bulk flow model for calculation of performance and rotordynamic coefficients of annular pressure seals of arbitrary non-uniform clearance for barotropic fluids such as LH2, LOX, LN2, and CH4 was developed. This program is very efficient (fast) and converges for very large eccentricities. Currently, work is being performed on a bulk flow analysis of the effects of the impeller-shroud interaction upon the stability of pumps. The data was used along with data from other researchers to develop an empirical leakage prediction code for MSFC. Presently, the flow field inside labyrinth and annular seals are being studied in detail. An advanced 3-D Doppler anemometer system is being used to measure the mean velocity and entire Reynolds stress tensor distribution throughout the seals. Concentric and statically eccentric seals were studied; presently, whirling seals are being studied. The data obtained are providing valuable information about the flow phenomena occurring inside the seals, as well as a data base for comparison with numerical predictions and for turbulence model development. A finite difference computer code was developed for solving the Reynolds averaged Navier Stokes equation inside labyrinth seals. A multi-scale k-epsilon turbulence model is currently being evaluated. A new seal geometry was designed and patented using a computer code. A large scale, 2-D seal flow visualization facility is also being developed.

Morrison, Gerald L.↗