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At least 703 records · Page 39

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Implicit fast sweeping method for hyperbolic systems of conservation laws

Implicit time-accurate methods are often used to integrate stiff problems where explicit schemes impose severe time step restrictions. This paper presents an efficient numerical framework based on the Fast Sweeping Method (FSM) for solving linear and nonlinear hyperbolic systems of conservation laws. The solution at each discrete location is computed by sweeping the numerical domain in several predetermined directions that follow the causality of the characteristic families. The use of a fractional step strategy eliminates the need for a solution selection criterion while one-sided stencils limit the number of sweeps to at most 2 d for d space dimensions. This work focuses on the first-order implicit upwind method since it constitutes the building block for high-order conservative schemes. For problems where the degree of stiffness evolves over time, implicit-explicit hybridization can be accomplished with the same algorithm by simply switching the stencil at each time level. As opposed to traditional implicit solvers, the sweeping method does not require a local time linearization of the fluxes thereby preserving the nonlinear stability properties of the original implicit scheme. It also avoids the large computational and memory requirements associated with solving large block-diagonal systems of equations. Here, a series of one- and two-dimensional test cases are presented for the inviscid Burgers' equation and the reactive Euler equations. The results indicate that the implicit FSM can allow a major reduction in the number of time steps even in the presence of discontinuous solution profiles.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

A coupled discontinuous Galerkin-Finite Volume framework for solving gas dynamics over embedded geometries

Herein, we present a computational framework for solving the equations of inviscid gas dynamics using structured grids with embedded geometries. The novelty of the proposed approach is the use of high-order discontinuous Galerkin (dG) schemes and a shock-capturing Finite Volume (FV) scheme coupled via an hp adaptive mesh refinement (hp-AMR) strategy that offers high-order accurate resolution of the embedded geometries. The hp-AMR strategy is based on a multi-level block-structured domain partition in which each level is represented by block-structured Cartesian grids and the embedded geometry is represented implicitly by a level set function. The intersection of the embedded geometry with the grids produces the implicitly-defined mesh that consists of a collection of regular rectangular cells plus a relatively small number of irregular curved elements in the vicinity of the embedded boundaries. High-order quadrature rules for implicitly-defined domains enable high-order accuracy resolution of the curved elements with a cell-merging strategy to address the small-cell problem. The hp-AMR algorithm treats the system with a second-order finite volume scheme at the finest level to dynamically track the evolution of solution discontinuities while using dG schemes at coarser levels to provide high-order accuracy in smooth regions of the flow. On the dG levels, the methodology supports different orders of basis functions on different levels. The space-discretized governing equations are then advanced explicitly in time using high-order Runge-Kutta algorithms. Numerical tests are presented for two-dimensional and three-dimensional problems involving an ideal gas. The results are compared with both analytical solutions and experimental observations and demonstrate that the framework provides high-order accuracy for smooth flows and accurately captures solution discontinuities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Effect of alloying elements on the $γ$’ antiphase boundary energy in Ni-base superalloys

Mechanical and fatigue performance of γ-γ' Ni-base superalloys are strongly affected by the antiphase boundary energy (APBE) of the γ' precipitates which, in turn, is dictated by the alloy's composition. Due to the multicomponent character of these alloys, establishing composition-APBE relationships are challenging, even though the qualitative effect of individual solutes on the APBE may be known. This work attempts to utilize density functional theory-based cluster expansion calculations to systematically assess the effect of composition on the APBE of the γ' phases in Ni-base superalloys. We aim to elucidate the influence of not only one single element but also multiple coexisting alloying elements on the γ' APBE. By explicit consideration of configurational disorder via Monte Carlo sampling, the effect of temperature on the APBE has also been analyzed. Overall, this work reveals that (1) effects of individual solute element M on the APBE energy obtained in an isolated, ternary condition (i.e. in Ni 3-x Al 1-y M x+y ) does not directly translate to a multi-solute case and that (2) the mutual synergistic interactions among different solute elements are not negligible. Based on the present results, an empirical master equation that predicts the APBE based on the composition of the γ' phases has been obtained.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Molecular Level Insight into Enhanced n‐Type Transport in Solution‐Printed Hybrid Thermoelectrics

Abstract Perylene diimide (PDI) derivatives hold great promise as stable, solution‐printable n‐type organic thermoelectric materials, but as of yet lack sufficient electrical conductivity to warrant further development. Hybrid PDI‐inorganic nanomaterials have the potential to leverage these physical advantages while simultaneously achieving higher thermoelectric performance. However, lack of molecular level insight precludes design of high performing PDI‐based hybrid thermoelectrics. Herein, the first explicit crystal structure of these materials is reported, providing previously inaccessible insight into the relationship between their structure and thermoelectric properties. Allowing this molecular level insight to drive novel methodologies, simple solution‐based techniques to prepare PDI hybrid thermoelectric inks with up to 20‐fold enhancement in thermoelectric power factor over the pristine molecule (up to 17.5 µW mK −2 ) is presented. This improved transport is associated with reorganization of organic molecules on the surface of inorganic nanostructures. Additionally, outstanding mechanical flexibility is demonstrated by fabricating solution‐printed thermoelectric modules with innovative folded geometries. This work provides the first direct evidence that packing/organization of organic molecules on inorganic nanosurfaces is the key to effective thermoelectric transport in nanohybrid systems.

Zaia, Edmond W.↗

NASA NTRS1979

Finite element methodology for transient conduction/forced-convection thermal analysis

Finite element methodology for steady state thermal analysis of convectively cooled structures has been extended for transient analysis. The finite elements are based on representing the fluid passages by fluid bulk-temperature nodes and fluid-solid interface nodes. The formulation of the finite element equations for a typical flow passage is based on the weighted residual method with upwind weighting functions. Computer implementation of the convective finite element methodology using explicit and implicit time integration algorithms is described. Accuracy and efficiency of the methodology is evaluated by comparisons with analytical solutions and finite-difference lumped-parameter analyses. The comparative analyses demonstrate that finite element conduction/conduction methodology may be used to predict transient temperatures with an accuracy equal or superior to the lumped-parameter finite-difference method.

Thornton, E. A.↗

NASA NTRS1982

Semi-implicit transient analysis procedures for structural dynamics analysis

A semi-implicit direct time integration procedure is presented which avoids factorization of the implicit difference solution matrix. The procedure, if properly implemented, requires only vectorial calculations and hence needs the same computer core space as explicit integration procedures. Guidelines for splitting the stiffness matrix into upper and lower matrices are established, which among other things are designed to satisfy a correct transmission of rigid-body motions from element (or grid) to its adjacent elements.

Park, K. C.↗

NASA NTRS1983

On a finite-difference method for solving transient viscous flow problems

A method has been developed to solve the unsteady, compressible Navier-Stokes equation with the property of consistency and the ability of minimizing the equation stiffness. It relies on innovative extensions of the state-of-the-art finite-difference techniques and is composed of: (1) the upwind scheme for split-flux and the central scheme for conventional flux terms in the inviscid and viscous regions, respectively; (2) the characteristic treatment of both inviscid and viscous boundaries; (3) an ADI procedure compatible with interior and boundary points; and (4) a scalar matrix coefficient including viscous terms. The performance of this method is assessed with four sample problems; namely, a standing shock in the Laval duct, a shock reflected from the wall, the shock-induced boundary-layer separation, and a transient internal nozzle flow. The results from the present method, an existing hybrid block method, and a well-known two-step explicit method are compared and discussed. It is concluded that this method has an optimal trade-off between the solution accuracy and computational economy, and other desirable properties for analyzing transient viscous flow problems.

Li, C. P.↗

NASA NTRS1986

Influence of numerical dissipation in computing supersonic vortex-dominated flows

Steady supersonic vortex-dominated flows are solved using the unsteady Euler equations for conical and three-dimensional flows around sharp- and round-edged delta wings. The computational method is a finite-volume scheme which uses a four-stage Runge-Kutta time stepping with explicit second- and fourth-order dissipation terms. The grid is generated by a modified Joukowski transformation. The steady flow solution is obtained through time-stepping with initial conditions corresponding to the freestream conditions, and the bow shock is captured as a part of the solution. The scheme is applied to flat-plate and elliptic-section wings with a leading edge sweep of 70 deg at an angle of attack of 10 deg and a freestream Mach number of 2.0. Three grid sizes of 29 x 39, 65 x 65 and 100 x 100 have been used. The results for sharp-edged wings show that they are consistent with all grid sizes and variation of the artificial viscosity coefficients. The results for round-edged wings show that separated and attached flow solutions can be obtained by varying the artificial viscosity coefficients. They also show that the solutions are independent of the way time stepping is done. Local time-stepping and global minimum time-steeping produce same solutions.

Kandil, O. A.↗

NASA NTRS1991

An assessment of computational fluid dynamic techniques in the analysis and design of turbomachinery - The 1990 Freeman Scholar Lecture

Various computational fluid dynamic techniques are reviewed focusing on the Euler and Navier-Stokes solvers with a brief assessment of boundary layer solutions, and quasi-3D and quasi-viscous techniques. Particular attention is given to a pressure-based method, explicit and implicit time marching techniques, a pseudocompressibility technique for incompressible flow, and zonal techniques. Recommendations are presented with regard to the most appropriate technique for various flow regimes and types of turbomachinery, incompressible and compressible flows, cascades, rotors, stators, liquid-handling, and gas-handling turbomachinery.

Lakshminarayana, B.↗

NASA NTRS1995

Hybrid Upwind Splitting (HUS) by a Field-by-Field Decomposition

We introduce and develop a new approach for upwind biasing: the hybrid upwind splitting (HUS) method. This original procedure is based on a suitable hybridization of current prominent flux vector splitting (FVS) and flux difference splitting (FDS) methods. The HUS method is designed to naturally combine the respective strengths of the above methods while excluding their main deficiencies. Specifically, the HUS strategy yields a family of upwind methods that exhibit the robustness of FVS schemes in the capture of nonlinear waves and the accuracy of some FDS schemes in the resolution of linear waves. We give a detailed construction of the HUS methods following a general and systematic procedure directly performed at the basic level of the field by field (i.e. waves) decomposition involved in FDS methods. For such a given decomposition, each field is endowed either with FVS or FDS numerical fluxes, depending on the nonlinear nature of the field under consideration. Such a design principle is made possible thanks to the introduction of a convenient formalism that provides us with a unified framework for upwind methods. The HUS methods we propose bring significant improvements over current methods in terms of accuracy and robustness. They yield entropy-satisfying approximate solutions as they are strongly supported in numerical experiments. Field by field hybrid numerical fluxes also achieve fairly simple and explicit expressions and hence require a computational effort between that of the FVS and FDS. Several numerical experiments ranging from stiff 1D shock-tube to high speed viscous flows problems are displayed, intending to illustrate the benefits of the present approach. We assess in particular the relevance of our HUS schemes to viscous flow calculations.

Coquel, Frederic↗

NASA NTRS2004

Stagnation Flow in Thin Streamer Boundaries

Slow solar wind is believed to arise in the legs or near the cusp of streamers, inside the brightness boundary. In an earlier study, we used an analytic model of flow in this layer to analyze the effect of the magnetic field on the geometry of the flow. That study successfully described those conditions that can lead to a decrease of the flow speed with increasing height near the cusp of the closed magnetic helmet inside a streamer. The model was, however, restricted to a radial brightness boundary on the streamer and hence to a relatively thick outflow region near the cusp. Here, this restriction is relaxed through the explicit introduction of a coronal hole-like region outside the brightness boundary. We use the model to describe flow solutions for outflow in a thin layer inside the brightness boundary. The flow geometry now can be constrictive above the cusp and we show solutions of this type. We fail to find solutions in which the geometry alone leads to slow flow but give a more general description than before of conditions favoring slow flow and, consequently, gravitational settling in the legs of streamers.

Nerney, S.↗

NASA NTRS2005

Stagnation Flow in Thin Streamer Boundaries

Slow solar wind is believed to arise in the legs or near the cusp of streamers, inside the brightness boundary. In an earlier study, we used an analytic model of flow in this layer to analyze the effect of the magnetic field on the geometry of the flow. That study successfully described those conditions that can lead to a decrease of the flow speed with increasing height near the cusp of the closed magnetic helmet inside a streamer. The model was, however, restricted to a radial brightness boundary on the streamer and hence to a relatively thick outflow region near the cusp. Here this restriction is relaxed through the explicit introduction of a coronal hole-like region outside the brightness boundary. We use the model to describe flow solutions for outflow in a thin layer inside the brightness boundary. The flow geometry now can be constrictive just above the cusp, and we show solutions of this type. Many solutions then show a diverging geometry at greater heights above the cusp, out to at least 5 solar radius. We fail to find solutions in which the geometry alone leads to slow flow but give a more general description than before of conditions favoring slow flow and, consequently, gravitational settling in the legs of streamers.

Suess, Steven T.↗

DOE OSTI2019

IMEX HDG-DG: A coupled implicit hybridized discontinuous Galerkin and explicit discontinuous Galerkin approach for shallow water systems

We propose IMEX HDG-DG schemes for planar and spherical shallow water systems. Of interest is subcritical flow, where the speed of the gravity wave is faster than that of nonlinear advection. In order to simulate these flows efficiently, we split the governing system into a stiff part describing the gravity wave and a non-stiff part associated with nonlinear advection. The former is discretized implicitly with the HDG method while an explicit Runge-Kutta DG discretization is employed for the latter. The proposed IMEX HDG-DG framework: 1) facilitates high-order solutions both in time and space; 2) avoids overly small time-step sizes; 3) requires only one linear system solve per time stage; 4) relative to DG generates smaller and sparser linear systems while promoting further parallelism; and 5) suppresses the fast modes in the system with a large time-step size. Numerical results for various test cases demonstrate that our methods are beneficial for applications where non-stiff terms are accurately treated while stiff terms are less accurately handled.

42 ENGINEERING↗

NASA NTRS1997

The Implicit and Explicit alpha-mu Schemes

Artificial numerical dissipation is an important issue in large Reynolds number computations. In such computations, the artificial dissipation inherent in traditional numerical schemes can overwhelm the physical dissipation and yield inaccurate results on meshes of practical size. In the present work, the space-time conservation element and solution element method is used to construct new and accurate numerical schemes such that artificial numerical dissipation will not overwhelm physical dissipation. Specifically, these schemes have the property that numerical dissipation vanishes when the physical viscosity goes to zero. These new schemes therefore accurately model the physical dissipation even when it is extremely small. The method of space-time conservation element and solution element, currently under development, is a nontraditional numerical method for solving conservation laws. The method is developed on the basis of local and global flux conservation in a space-time domain, in which space and time are treated in a unified manner. Explicit solvers for model and fluid dynamic conservation laws have previously been investigated. In this paper, we introduce a new concept in the design of implicit schemes, and use it to construct two highly accurate solvers for a convection-diffusion equation. The two schemes become identical in the pure convection case, and in the pure diffusion case. The implicit schemes are applicable over the whole Reynolds number range, from purely diffusive equations to purely inviscid (convective) equations. The stability and consistency of the schemes are analyzed, and some numerical results are presented. It is shown that, in the inviscid case, the new schemes become explicit and their amplification factors are identical to those of the Leapfrog scheme. On the other hand, in the pure diffusion case, their principal amplification factor becomes the amplification factor of the Crank-Nicolson scheme. We also construct an explicit solver with the treatment of diffusion being based on that in the implicit solvers. The explicit solver has only a CFL stability limitation on the Courant number, yet it retains the second-order spatial accuracy of the implicit schemes.

Chang, Sin-Chung↗

DOE OSTI2025

Complexity Reduction Methods for Large-Scale Spatially Explicit Biofuels Network Design

The size and complexity of energy system optimization models have increased significantly in recent years, driven by the availability of high-resolution spatial data. We present complexity reduction and solution methods that enable us to efficiently represent high-resolution spatial data in the network design of large-scale energy systems. We aim to reduce the size and enhance the computational efficiency of network design models without sacrificing solution accuracy. Specifically, we first present how to aggregate highly granular data into larger resolutions without averaging out their specific properties through a composite-curve-based approach and then develop a method to linearly represent these curves. Second, we utilize a general clustering method to determine groups of geographically proximate biomass fields and establish a single transportation arc for all of them, reducing the number of transportation-related variables while maintaining an accurate representation of the system. Finally, we introduce a two-step algorithm that decomposes large-scale network design problems into two smaller, more manageable subproblems. We demonstrate the application of our methods using a case study of switchgrass-to-biofuels network design in the eight states of the U.S. Midwest, using realistic and highly explicit spatial data.

09 BIOMASS FUELS↗

NASA NTRS1990

Application of implicit numerical techniques to the solution of the three-dimensional diffusion equation

Implicit techniques for calculating three-dimensional, time-dependent heat diffusion in a cube are tested with emphasis on storage efficiency, accuracy, and speed of calculation. For this purpose, a tensor product technique with both Chebyshev collocation and finite differences and a generalized conjugate gradient technique with finite differences are used in conjunction with Crank-Nicolson discretization. An Euler explicit finite difference calculation is performed for use as a benchmark. The implicit techniques are found to be competitive with the Euler explicit method in terms of storage efficiency and speed of calculation and offer advantages both in accuracy and stability. Mesh stretching in the finite difference calculations is shown to markedly improve the accuracy of the solution.

Peltier, Leonard Joel↗

NASA NTRS1984

Fast solutions to the steady state compressible and incompressible fluid dynamic equations

For low speed flows the use of the compressible fluid dynamic equations is inefficient. The use of an explicit scheme requires delta t to be bounded by 1/c. However, the physical parameters change over time scales of order 1/u which is much larger. Hence, it is not appropriate to use explicit schemes for very subsonic flows. Implicit schemes are hard to vectorize and frequently do not converge quickly for very subsonic flows. If one is only interested in the steady state then a minor change to an existing code can greatly increase the efficiency of an explicit method. Even when using an implicit method the proposed changes increase the efficiency of the scheme. The Euler equations for low speed flows will be considered first and then incompressible flows. The method is generalized to include viscous effects. Supersonic flow is accelerated by essentially decoupling the equations.

Turkel, E.↗

NASA NTRS2022

Predicting Unreinforced Fabric Mechanical Behavior with Recurrent Neural Networks

Unreinforced woven fabrics are widely employed in various high-performance applications, including parachute deployment systems, airbags, and ballistic armor. The analysis of such materials is inherently complex due to the multiscale structure of these materials, and the dependence of macroscale behavior on changes that occur at lower scales. Previously, NASA’s Multiscale Analysis Tool (NASMAT) showed its capability in predicting unreinforced fabric behavior at the macroscale by capturing finite rotations that occur at the mesoscale. Though effective, the tool can face high computational cost for large, complex problems, motivating the need for the development of a surrogate model that can capture the same behavior. A recurrent neural network (RNN) was developed and trained on virtual NASMAT data to mimic the physics-based solutions while improving the computational runtime. The architecture of the RNN to best simulate the fabric behavior was carefully crafted based on heuristic knowledge of predicting physics-based temporal data, manual hyperparameter case studies, and Hyperband optimization.. The resultant model was able to predict a variety of stress-strain curves for fabrics with different mesoscale geometries, and was further validated by comparing to experimental data for the K706 style Kevlar plain-weave fabric, demonstrating the ability of the model to effectively capture the geometric changes in the fabric without explicitly calculating them, as is done in NASMAT. Furthermore, the tool showed its ability to improve on the runtime by a factor of 10 for fabric solutions compared to the multiscale tool, which would further enable the simulation of complex loading scenarios on unreinforced fabrics.

Fabric↗