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At least 163 records · Page 9

Solving differential equations using deep neural networks

Recent work on solving partial differential equations (PDEs) with deep neural networks (DNNs) is presented. The paper reviews and extends some of these methods while carefully analyzing a fundamental feature in numerical PDEs and nonlinear analysis: irregular solutions. First, the Sod shock tube solution to the compressible Euler equations is discussed and analyzed. This analysis includes a comparison of a DNN-based approach with conventional finite element and finite volume methods, and demonstrates that the DNN is competitive in terms of degrees of freedom required for a given accuracy. Further, the DNN-based approach is extended to consider performance improvements and simultaneous parameter space exploration. Next, a shock solution to compressible magnetohydrodynamics (MHD) is solved for, and used in a scenario where experimental data is utilized to enhance a PDE system that is a priori insufficient to validate against the observed/experimental data. This is accomplished by enriching the model PDE system with source terms that are then inferred via supervised training with synthetic experimental data. The resulting DNN framework for PDEs enables straightforward system prototyping and natural integration of large data sets (be they synthetic or experimental), all while simultaneously enabling single-pass exploration of an entire parameter space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Hybridized Discontinuous Galerkin Methods for Computational Fluid Dynamics

Hybridizable Discontinuous Galerkin (HDG) methods hold promise for any applications with significant advection character, including thermal hydraulics in light water reactors and advanced reactor concepts and fluid models of plasmas in magnetic confinement fusion. Its features include natural upwinding, local element conservation, and extensibility to arbitrarily high order accuracy. In the last fiscal year we have implemented HDG in the Multiphysics Object-Oriented Simulation Environment (MOOSE). We developed a first-of-its-kind automatic static condensation system in MOOSE’s underlying finite element library libMesh which can condense out arbitrarily many internal variables. Finally, we developed the first preconditioner for HDG discretizations of the Navier-Stokes equations which shows robust performance across a wide range of problem sizes and Reynolds numbers. This preconditioner yields solution times that are equivalent to the fastest developed for industry standard finite volume methods. Moreover, the arbitrarily high-order nature of HDG makes it a prime candidate for acceleration via graphical processing units (GPUs). We believe these developments will hold significant importance for future DOE Nuclear Energy (NE) and Fusion Energy Science (FES) programs.

97 MATHEMATICS AND COMPUTING↗

Euler solution of the transonic flow for a helicopter rotor

A new method is presented for calculating the quasi-steady transonic flow over a lifting or nonlifting rotor blade in both hover and forward flight by using Euler equations. The approach is to solve the Euler equations in a rotor-fixed frame of reference using a finite volume method. A computer program was developed and was then verified by comparison with wind-tunnel data. In all cases considered, good agreement was found with available experimental data.

Chang, I-Chung↗

Mean Flow Augmented Acoustics in Rocket Systems

Oscillatory motion in solid rocket motors and liquid engines has long been a subject of concern. Many rockets display violent fluctuations in pressure, velocity, and temperature originating from the complex interactions between the combustion process and gas dynamics. The customary approach to modeling acoustic waves inside a rocket chamber is to apply the classical inhomogeneous wave equation to the combustion gas. The assumption of a linear, non-dissipative wave in a quiescent fluid remains valid while the acoustic amplitudes are small and local gas velocities stay below Mach 0.2. The converging section of a rocket nozzle, where gradients in pressure, density, and velocity become large, is a notable region where this approach is not applicable. The expulsion of unsteady energy through the nozzle of a rocket is identified as the predominate source of acoustic damping for most rocket systems. An accurate model of the acoustic behavior within this region where acoustic modes are influenced by the presence of a steady mean flow is required for reliable stability predictions. Recently, an approach to address nozzle damping with mean flow effects was implemented by French [1]. This new approach extends the work originated by Sigman and Zinn [2] by solving the acoustic velocity potential equation (AVPE) formulated by perturbing the Euler equations [3]. The acoustic velocity potential (psi) describing the acoustic wave motion in the presence of an inhomogeneous steady high-speed flow is defined by, (del squared)(psi) − (lambda/c)(exp 2)(psi) − M(dot)[M(dot)(del)(del(psi))] − 2(lambda(M/c) + (M(dot)del(M))(dot)del(psi)−2(lambda)(psi)[M(dot)del(1/c)]=0 (1) with M as the Mach vector, c as the speed of sound, and lambda as the complex eigenvalue. French apply the finite volume method to solve the steady flow field within the combustion chamber and nozzle with inviscid walls. The complex eigenvalues and eigenvector are determined with the use of the ARPACK eigensolver. The present study employs the COMSOL Multphysics framework to solve the coupled eigenvalue problem using the finite element approach. The study requires one way coupling of the CFD High Mach Number Flow (HMNF) and mathematics module. The HMNF module evaluated the gas flow inside of a solid rocket motor using St. Robert's law modeling solid propellant burn rate, slip boundary conditions, and the supersonic outflow condition. Results from the HMNF model are used by the coefficient form of the mathematics module to determine the eigenvalues of the AVPE. The mathematics model is truncated at the nozzle sonic line, where a zero flux boundary condition is self-satisfying. The remaining boundaries are modeled with a zero flux boundary condition, assuming zero acoustic absorption on all surfaces. Pertinent results from these analyses are the complex valued eigenvalue and eigenvectors. Comparisons are made to the French results to evaluate the modeling approach. A comparison of the French results with that of the present analysis is displayed in figures 1 and 2, respectively. The graphic shows the first tangential eigenvector's real (a) and imaginary (b) values.

Fischbach, Sean R.↗

Transonic flow analysis for rotors. Part 3: Three-dimensional, quasi-steady, Euler calculation

A new method is presented for calculating the quasi-steady transonic flow over a lifting or non-lifting rotor blade in both hover and forward flight by using Euler equations. The approach is to solve Euler equations in a rotor-fixed frame of reference using a finite volume method. A computer program was developed and was then verified by comparison with wind-tunnel data. In all cases considered, good agreement was found with published experimental data.

Chang, I-Chung↗

Finite domain solution of a hydraulic fracture in a permeable rock

In this work, we present a domain-based algorithm to simulate the propagation of a plane-strain hydraulic fracture in a zero-toughness permeable elastic medium. The algorithm utilizes a domain-based method to solve the elasticity equation and integrates a multi-scale tip asymptote, which is particular to hydraulic fractures, into this framework. This integration is key to accurately model the energy dissipation and the fluid leak-off in the fracture tip region. The algorithm combines a 2D finite volume method (FVM) for solving the elasticity equation with a 1D FVM for solving the nonlinear lubrication equation. Incorporating the far-field asymptotics and using a moving-mesh scheme reduces the computational burden while improving the accuracy of the scheme. The paper concludes with an analysis of the numerical results. This study demonstrates the potential of this domain-based approach for modeling hydraulic fractures in poroelastic media.

Domain-based method↗

Shape optimization of single- and two-element airfoils on multiblock grids

A multiblock, discrete sensitivity analysis method is used to couple a direct optimization method and a flow analysis method. The domain is divided into smaller subdomains for which the sensitivities are obtained separately. Then, an effective sensitivity equation is solved to complete the coupling of all the sensitivity information. The flow analysis is based on the thin-layer Navier-Stokes equations solved by an implicit, upwind-biased, finite-volume method. The method of feasible directions is used for the present gradient-based optimization approach. First, a transonic airfoil is optimized to investigate the behavior of the method in highly nonlinear flows as well as the effect of different blocking strategies on the procedure. A supercritical airfoil is produced from an initially symmetric airfoil with multiblocking affecting the path but not the final shape. Secondly, a two-element airfoil is shape optimized in subsonic flow to demonstrate the present method's capability of shaping aerodynamically interfering elements simultaneously. For a very low and a very high Reynolds number cases, the shape of the main airfoil and the flap are optimized to yield improved lift-to-drag ratios.

Lacasse, James M.↗

Computational methods for vortex dominated compressible flows

The principal objectives were to: understand the mechanisms by which Euler equation computations model leading edge vortex flows; understand the vortical and shock wave structures that may exist for different wing shapes, angles of incidence, and Mach numbers; and compare calculations with experiments in order to ascertain the limitations and advantages of Euler equation models. The initial approach utilized the cell centered finite volume Jameson scheme. The final calculation utilized a cell vertex finite volume method on an unstructured grid. Both methods used Runge-Kutta four stage schemes for integrating the equations. The principal findings are briefly summarized.

Murman, Earll M.↗

Development of computational methods for heavy lift launch vehicles

The research effort has been focused on the development of an advanced flow solver for complex viscous turbulent flows with shock waves. The three-dimensional Euler and full/thin-layer Reynolds-averaged Navier-Stokes equations for compressible flows are solved on structured hexahedral grids. The Baldwin-Lomax algebraic turbulence model is used for closure. The space discretization is based on a cell-centered finite-volume method augmented by a variety of numerical dissipation models with optional total variation diminishing limiters. The governing equations are integrated in time by an implicit method based on lower-upper factorization and symmetric Gauss-Seidel relaxation. The algorithm is vectorized on diagonal planes of sweep using two-dimensional indices in three dimensions. A new computer program named CENS3D has been developed for viscous turbulent flows with discontinuities. Details of the code are described in Appendix A and Appendix B. With the developments of the numerical algorithm and dissipation model, the simulation of three-dimensional viscous compressible flows has become more efficient and accurate. The results of the research are expected to yield a direct impact on the design process of future liquid fueled launch systems.

Yoon, Seokkwan↗

A High-Order Eulerian–Lagrangian Runge–Kutta Finite Volume (EL–RK–FV) Method for Scalar Nonlinear Conservation Laws

Abstract We present a class of high-order Eulerian–Lagrangian Runge–Kutta finite volume methods that can numerically solve Burgers’ equation with shock formations, which could be extended to general scalar conservation laws. Eulerian–Lagrangian (EL) and semi-Lagrangian (SL) methods have recently seen increased development and have become a staple for allowing large time-stepping sizes. Yet, maintaining relatively large time-stepping sizes post shock formation remains quite challenging. Our proposed scheme integrates the partial differential equation on a space-time region partitioned by linear approximations to the characteristics determined by the Rankine–Hugoniot jump condition. We trace the characteristics forward in time and present a merging procedure for the mesh cells to handle intersecting characteristics due to shocks. Following this partitioning, we write the equation in a time-differential form and evolve with Runge–Kutta methods in a method-of-lines fashion. High-resolution methods such as ENO and WENO-AO schemes are used for spatial reconstruction. Extension to higher dimensions is done via dimensional splitting. Numerical experiments demonstrate our scheme’s high-order accuracy and ability to sharply capture post-shock solutions with large time-stepping sizes.

Chen, Jiajie↗

Effect of time and spatial domains on monolayer 2D material interface thermal conductance measurement using ns ET-Raman

Raman-based approaches to characterizing thermal properties of nanoscale and microscale materials have proven to be powerful experimental methods. Here, this work explores the potential of energy-transport state-resolved Raman (ET-Raman) for the precise determination of interfacial thermal conductance (G) between monolayer 2D materials and their substrates. ET-Raman employs a continuous wave laser and nanosecond (ns) pulsed laser to induce both steady state and transient heating while simultaneously collecting 2D material temperature information from the Raman signal. A 3D numerical model built using the finite volume method simulates the two differentiated thermal transport processes. The simulated temperature rises are compared with experimental Raman temperature information to extract G. In this study, we investigate the temporal effects of the pulse frequency and pulse width of the ns laser on precise characterization of G. By running multiple simulations for a range of pulsed laser frequencies and pulse widths, we determine that ET-Raman is most sensitive to precise interfacial thermal conductance measurements with short pulse widths (~below 20 ns) and with pulsing frequencies that ensure sufficient cooling time between consecutive pulses (~below 500 kHz). We also conclude that substrate thickness and laser spot size play critical roles in heat distribution and subsequent sensitivity to meaningful G measurements. As both laser spot size and SiO 2 substrate thickness decrease, detection of interfacial thermal transport becomes more difficult. These results offer essential guidance in the design of future Raman-based approaches to thermal measurements using pulsed lasers.

2D materials↗

A modern concept of Lagrangian hydrodynamics

Here, we offer a modern interpretation of Lagrangian hydrodynamics as employed in Lagrangian simulations of compressible fluid flow. Our main result is to show that artificial viscosity, traditionally viewed as a numerical artifice to control unphysical oscillations in flows with shocks, actually represents a physical process and is necessary to derive accurate simulations in any compressible flow. We begin by reviewing the origins of two numerical devices, artificial viscosity and finite-volume methods. We proceed to construct a mathematical (PDE) model that incorporates those numerics and in which a new length scale, the observer, arises representing the discretization. Associated with that length scale, there are new inviscid fluxes that are the artificial viscosity as first formulated by Richtmyer and an artificial heat flux postulated by Noh but typically not included in Lagrangian codes. We discuss the connection of our results to bivelocity hydrodynamics. We conclude with some speculation as to the direction of future developments in multidimensional Lagrangian codes as computers get faster and have larger memories.

97 MATHEMATICS AND COMPUTING↗

LU-SGS implicit algorithm for three-dimensional incompressible Navier-Stokes equations with source term

A numerical method is developed for solving the incompressible Navier-Stokes equations using the concept of pseudocompressibility. A lower-upper symmetric-Gauss-Seidel implicit scheme is developed for three-dimensional incompressible viscous flow computations. The present algorithm offers additional advantages when solving the flow equations with source terms. Complete vectorizability of the algorithm on oblique planes of sweep in three-dimensions is accomplished in a new flow solver, INS3D-LU code. Spatial differencing is a second-order accurate semi-discrete finite-volume method augmented by a third-order accurate numerical dissipation model which is based on spectral-radii. Comparison of numerical solutions for a curved duct with experimental data shows good agreement. The method is applied to calculate the inducer flow of the Space Shuttle Main Engine turbopump.

Yoon, Seokkwan↗

Multi-Group Reductions of LTE Air Plasma Radiative Transfer in Cylindrical Geometries

Air plasma radiation in Local Thermodynamic Equilibrium (LTE) within cylindrical geometries is studied with an application towards modeling the radiative transfer inside arc-constrictors, a central component of constricted-arc arc jets. A detailed database of spectral absorption coefficients for LTE air is formulated using the NEQAIR code developed at NASA Ames Research Center. The database stores calculated absorption coefficients for 1,051,755 wavelengths between 0.04 μm and 200 μm over a wide temperature (500K to 15 000K) and pressure (0.1 atm to 10.0 atm) range. The multi-group method for spectral reduction is studied by generating a range of reductions including pure binning and banding reductions from the detailed absorption coefficient database. The accuracy of each reduction is compared to line-by-line calculations for cylindrical temperature profiles resembling typical profiles found in arc-constrictors. It is found that a reduction of only 1000 groups is sufficient to accurately model the LTE air radiation over a large temperature and pressure range. In addition to the reduction comparison, the cylindrical-slab formulation is compared with the finite-volume method for the numerical integration of the radiative flux inside cylinders with varying length. It is determined that cylindrical-slabs can be used to accurately model most arc-constrictors due to their high length to radius ratios.

Reductions↗

A new flux conserving Newton's method scheme for the two-dimensional, steady Navier-Stokes equations

A new numerical method is developed for the solution of the two-dimensional, steady Navier-Stokes equations. The method that is presented differs in significant ways from the established numerical methods for solving the Navier-Stokes equations. The major differences are described. First, the focus of the present method is on satisfying flux conservation in an integral formulation, rather than on simulating conservation laws in their differential form. Second, the present approach provides a unified treatment of the dependent variables and their unknown derivatives. All are treated as unknowns together to be solved for through simulating local and global flux conservation. Third, fluxes are balanced at cell interfaces without the use of interpolation or flux limiters. Fourth, flux conservation is achieved through the use of discrete regions known as conservation elements and solution elements. These elements are not the same as the standard control volumes used in the finite volume method. Fifth, the discrete approximation obtained on each solution element is a functional solution of both the integral and differential form of the Navier-Stokes equations. Finally, the method that is presented is a highly localized approach in which the coupling to nearby cells is only in one direction for each spatial coordinate, and involves only the immediately adjacent cells. A general third-order formulation for the steady, compressible Navier-Stokes equations is presented, and then a Newton's method scheme is developed for the solution of incompressible, low Reynolds number channel flow. It is shown that the Jacobian matrix is nearly block diagonal if the nonlinear system of discrete equations is arranged approximately and a proper pivoting strategy is used. Numerical results are presented for Reynolds numbers of 100, 1000, and 2000. Finally, it is shown that the present scheme can resolve the developing channel flow boundary layer using as few as six to ten cells per channel width, depending on the Reynolds number.

Scott, James R.↗

Numerical Simulation of Illumination and Thermal Conditions at the Lunar Poles Using LOLA DTMs

We are interested in illumination conditions and the temperature distribution within the upper two meters of regolith near the lunar poles. Here, areas exist receiving almost constant illumination near areas in permanent shadow, which were identified as potential exploration sites for future missions. For our study a numerical simulation of the illumination and thermal environment for lunar near-polar regions is needed. Our study is based on high-resolution, twenty meters per pixel and 400 x 400 km large polar Digital Terrain Models (DTMs), which were derived from Lunar Orbiter Laser Altimeter (LOLA) data. Illumination conditions were simulated by synthetically illuminating the LOLA DTMs using the horizon method considering the Sun as an extended source. We model polar illumination for the central 50 x 50 km subset and use it as an input at each time-step (2 h) to evaluate the heating of the lunar surface and subsequent conduction in the sub-surface. At surface level we balance the incoming insolation with the subsurface conduction and radiation into space, whereas in the sub-surface we consider conduction with an additional constant radiogenic heat source at the bottom of our two-meter layer. Density is modeled as depth-dependent, the specific heat parameter as temperature-dependent and the thermal conductivity as depth- and temperature-dependent. We implemented a fully implicit finite-volume method in space and backward Euler scheme in time to solve the one-dimensional heat equation at each pixel in our 50 x 50 km DTM. Due to the non-linear dependencies of the parameters mentioned above, Newton's method is employed as the non-linear solver together with the Gauss-Seidel method as the iterative linear solver in each Newton iteration. The software is written in OpenCL and runs in parallel on the GPU cores, which allows for fast computation of large areas and long time scales.

Glaser, P.↗

Algebraic Nonoverlapping Domain Decomposition Methods for Stabilized FEM and FV Discretizations

We consider preconditioning methods for convection dominated fluid flow problems based on a nonoverlapping Schur complement domain decomposition procedure for arbitrary triangulated domains. The triangulation is first partitioned into a number of subdomains and interfaces which induce a natural 2 x 2 partitioning of the p.d.e. discretization matrix. We view the Schur complement induced by this partitioning as an algebraically derived coarse space approximation. This avoids the known difficulties associated with the direct formation of an effective coarse discretization for advection dominated equations. By considering various approximations of the block factorization of the 2 x 2 system, we have developed a family of robust preconditioning techniques. A computer code based on these ideas has been developed and tested on the IBM SP2 using MPI message passing protocol. A number of 2-D CFD calculations will be presented for both scalar advection-diffusion equations and the Euler equations discretized using stabilized finite element and finite volume methods. These results show very good scalability of the preconditioner for various discretizations as the number of processors is increased while the number of degrees of freedom per processor is fixed.

Barth, Timothy J.↗

Remobilizing the Interfaces of Thermocapillary Driven Bubbles Retarded by the Adsorption of a Surfactant Impurity on the Bubble Surface

Thermocapillary migration is a method for moving bubbles in space in the absence of buoyancy. A temperature gradient is applied to the continuous phase in which a bubble is situated, and the applied gradient impressed on the bubble surface causes one pole of the drop to be cooler than the opposite pole. As the surface tension is a decreasing function of temperature, the cooler pole pulls at the warmer pole, creating a flow which propels the bubble in the direction of the warmer fluid. A major impediment to the practical use of thermocapillarity to direct the movement of bubbles in space is the fact that surfactant impurities which are unavoidably present in the continuous phase can significantly reduce the migration velocity. A surfactant impurity adsorbed onto the bubble interface is swept to the trailing end of the bubble. When bulk concentrations are low (which is the case with an impurity), diffusion of surfactant to the front end is slow relative to convection, and surfactant collects at the back end of the bubble. Collection at the back lowers the surface tension relative to the front end setting up a reverse tension gradient. For buoyancy driven bubble motions in the absence of a thermocapillarity, the tension gradient opposes the surface flow, and reduces the surface and terminal velocities (the interface becomes more solid-like). When thermocapillary forces are present, the reverse tension gradient set up by the surfactant accumulation reduces the temperature tension gradient, and decreases to near zero the thermocapillary velocity. The objective of our research is to develop a method for enhancing the thermocapillary migration of bubbles which have been retarded by the adsorption onto the bubble surface of a surfactant impurity, Our remobilization theory proposes to use surfactant molecules which kinetically rapidly exchange between the bulk and the surface and are at high bulk concentrations. Because the remobilizing surfactant is present at much higher concentrations than the impurity, it adsorbs to the bubble much faster than the impurity when the bubble is formed, and thereby prevents the impurity from adsorbing onto the surface. In addition the rapid kinetic exchange and high bulk concentration maintain a saturated surface with a uniform surface concentrations. This prevents retarding surface tension gradients and keeps the velocity high. In our first report last year, we detailed experimental results which verified the theory of remobilization in ground based experiments in which the steady velocity of rising bubbles was measured in a continuous phase consisting of a glycerol/water mixture containing a polyethylene glycol surfactant C12E6 (CH3(CH2)11(OCH2CH2)6OH). In our report this year, we detail our efforts to describe theoretically the remobilization observed. We construct a model in which a bubble rises steadily by buoyancy in a continuous (Newtonian) viscous fluid containing surfactant with a uniform far field bulk concentration. We account for the effects of inertia as well as viscosity in the flow in the continuous phase caused by the bubble motion (order one Reynolds number), and we assume that the bubble shape remains spherical (viscous and inertial forces are smaller than capillary forces, i e. small Weber and capillary numbers). The surfactant distribution is calculated by solving the mass transfer equations including convection and diffusion in the bulk, and finite kinetic exchange the bulk and the surface. Convective effects dominate diffusive mass transfer in the bulk of the liquid (high Peclet numbers) except in a thin boundary layer near the surface. A finite volume method is used to numerically solve the hydrodynamic and mass transfer equations on a staggered grid which accounts specifically for the thin boundary layer. We present the results of the nondimensional drag as a function of the bulk concentration of surfactant for different rates of kinetic exchange, from which we develop criteria for the concentration necessary to develop a prescribed degree of remobilization. The criteria compare favorably with the experimental results.

Palaparthi, Ravi↗