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All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Counterrotating prop-fan simulations which feature a relative-motion multiblock grid decomposition enabling arbitrary time-steps

Improvements are presented of a computer algorithm developed for the time-accurate flow analysis of rotating machines. The flow model is a finite volume method utilizing a high-resolution approximate Riemann solver for interface flux definitions. The numerical scheme is a block LU implicit iterative-refinement method which possesses apparent unconditional stability. Multiblock composite gridding is used to orderly partition the field into a specified arrangement of blocks exhibiting varying degrees of similarity. Block-block relative motion is achieved using local grid distortion to reduce grid skewness and accommodate arbitrary time step selection. A general high-order numerical scheme is applied to satisfy the geometric conservation law. An even-blade-count counterrotating unducted fan configuration is chosen for a computational study comparing solutions resulting from altering parameters such as time step size and iteration count. The solutions are compared with measured data.

Janus, J. Mark↗
DOE OSTI2022

A Moving Embedded Boundary Approach for the Compressible Navier-Stokes Equations in a Block-Structured Adaptive Refinement Framework

A computational technique has been developed to perform compressible flow simulations involving moving boundaries using an embedded boundary approach within the block-structured adaptive mesh refinement (SAMR) framework of AMReX [1], [91], [92]. We leverage the SAMR capability to obtain quantitatively accurate results whilst using robust, second-order finite volume schemes. A conservative, unsplit, cut-cell approach is utilized and a ghost-cell approach is developed for computing the flux on the moving, embedded boundary faces. A third-order least-squares formulation has been developed to compute the wall velocity gradients, and was found to significantly improve the performance of the solver in terms of the quantitative comparison of surface quantities such as the skin friction coefficient. Various test cases are performed to validate the method, and compared with analytical, experimental, and other numerical results in literature. Inviscid and viscous test cases are performed that span a wide regime of flow speeds - acoustic (harmonically pulsating sphere), smooth flows (expansion fan created by a receding piston) and flows with shocks (shock-cylinder interaction, shock-wedge interaction, pitching NACA 0012 airfoil and shock-cone interaction). A closed system with moving boundaries - an oscillating piston in a cylinder, showed that the percentage error in mass within the system decreases with refinement, demonstrating that the numerical scheme is conservative with grid refinement, but is not discretely conservative. Viscous test cases involve that of a horizontally moving cylinder at Re = 40, an inline oscillating cylinder at Re = 100, and a transversely oscillating cylinder at Re = 185. The judicious use of adaptive mesh refinement with appropriate refinement criteria to capture the regions of interest leads to well-resolved flow features, and good quantitative comparison is observed with the results available in literature.

adaptive refinement↗
DOE OSTI2024

Numerical challenges for energy conservation in N -body simulations of collapsing self-interacting dark matter halos

Dark matter (DM) halos can be subject to gravothermal collapse if the DM is not collisionless, but engaged in strong self-interactions instead. When the scattering is able to efficiently transfer heat from the centre to the outskirts, the central region of the halo collapses and reaches densities much higher than those for collisionless DM. This phenomenon is potentially observable in studies of strong lensing. Current theoretical efforts are motivated by observations of surprisingly dense substructures. However, a comparison with observations requires accurate predictions. One method to obtain such predictions is to use N-body simulations. Collapsed halos are extreme systems that pose severe challenges when applying state-of-the-art codes to model self-interacting dark matter (SIDM). In this work, we investigate the root of such problems, with a focus on energy non-conservation. Moreover, we discuss possible strategies to avoid them. We ran N-body simulations, both with and without SIDM, of an isolated DM-only halo and we adjusted the numerical parameters to check the accuracy of the simulation. We find that not only the numerical scheme for SIDM can lead to energy non-conservation, but also the modelling of gravitational interaction and the time integration are problematic. The main issues we find are: (a) particles changing their time step in a non-time-reversible manner; (b) the asymmetry in the tree-based gravitational force evaluation; and (c) SIDM velocity kicks breaking the time symmetry. Tuning the parameters of the simulation to achieve a high level of accuracy allows us to conserve energy not only at early stages of the evolution, but also later on. However, the cost of the simulations becomes prohibitively large as a result. Some of the problems that make the simulations of the gravothermal collapse phase inaccurate can be overcome by choosing appropriate numerical schemes. However, other issues still pose a challenge. Our findings motivate further works on addressing the challenges in simulating strong DM self-interactions.

dark matter↗
DOE OSTI2024

RANSBox: A zero-dimensional modular software package for Reynolds-averaged Navier-Stokes modeling

RANSBox is a zero-dimensional software package for Reynolds-averaged Navier-Stokes (RANS) modeling developed at Lawrence Livermore National Laboratory to support common implementation of RANS models across a variety of host codes with different numerical schemes and code bases. Herein this work describes the key features of RANSBox including “model-agnostic integration,” which allows new models to be implemented in RANSBox and quickly deployed to host codes without additional changes to the host code base. Three one-dimensional test problems with analytical asymptotic properties are described which can be used to verify correctness of RANSBox integration. Results for these problems are then compared across different RANS models in a single code and across different codes with a common RANS model. By using a common model implementation in RANSBox, host codes with different numerical schemes and formal orders of accuracy are demonstrated to predict the expected behavior for the three test problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1991

An investigation of voids formation mechanisms and their effects on freeze and thaw processes of lithium and lithium fluoride

The mechanisms of void formation during the cooldown and freezing of lithium coolant within the primary loop of SP-100 type systems are investigated. These mechanisms are: (1) homogeneous nucleation; (2) heterogeneous nucleation; (3) normal segregation of helium gas dissolved in liquid lithium; and (4) shrinkage of lithium during freezing. To evaluate the void formation potential due to segregation, a numerical scheme that couples the freezing and mass diffusion processes in both the solid and liquid regions is developed. The results indicated that the formation of He bubbles is unlikely by either homogeneous or heterogeneous nucleation during the cooldown process. However, homogeneous nucleation of He bubbles following the segregation of dissolved He in liquid lithium ahead of the solid-liquid interface is likely to occur. Results also show that total volume of He void is insignificant when compared to that of shrinkage voids. In viewing this, the subsequent research focuses on the effects of shrinkage void forming during freezing of lithium on subsequent thaw processes are investigated using a numerical scheme that is based on a single (solid/liquid) cell approach. The cases of lithium-fluoride are also investigated to show the effect of larger volume shrinkage upon freezing on the freeze and thaw processes. Results show that a void forming at the wall appreciably reduces the solid-liquid interface velocity, during both freeze and thaw, and causes a substantial rise in the wall temperature during thaw. However, in the case of Li, the maximum wall temperature was much lower than the melting temperature of PWC-11, which is used as the structure material in the SP-100 system. Hence, it is included that a formation of hot spots is unlikely during the startup or restart of the SP-100 system.

El-Genk, Mohamed S.↗
NASA NTRS1993

Numerical vorticity capturing for vortex-solid body interaction problems

A new numerical method based on adding a term to the Euler/Navier-Stokes equations has been demonstrated it can effectively treat vortex-dominated flows using low-order numerical schemes and coarse grids. The numerical diffusion introduced by convection schemes can be eliminated by modifying the velocity field as a result of solving the modified flow governing equations. The modification of the velocity field, which conserves the total vorticity, essentially convects the vorticity toward its local extreme to offset the numerical diffusion. This method preserves the vortex structure even when vortices travel on coarse grid region. The method is implemented with two distinctive codes: a Navier-Stokes flow solver based on vorticity-velocity formulation and an Euler code based on velocity-pressure formulation. Problems presented in this paper include airfoil dynamic stall, vortex airfoil interaction, and vortex-fuselage interactions.

Wang, Clin M.↗
NASA NTRS2001

The CE/SE Method: a CFD Framework for the Challenges of the New Millennium

The space-time conservation element and solution element (CE/SE) method, which was originated and is continuously being developed at NASA Glenn Research Center, is a high-resolution, genuinely multidimensional and unstructured-mesh compatible numerical method for solving conservation laws. Since its inception in 1991, the CE/SE method has been used to obtain highly accurate numerical solutions for 1D, 2D and 3D flow problems involving shocks, contact discontinuities, acoustic waves, vortices, shock/acoustic waves/vortices interactions, shock/boundary layers interactions and chemical reactions. Without the aid of preconditioning or other special techniques, it has been applied to both steady and unsteady flows with speeds ranging from Mach number = 0.00288 to 10. In addition, the method has unique features that allow for (i) the use of very simple non-reflecting boundary conditions, and (ii) a unified wall boundary treatment for viscous and inviscid flows. The CE/SE method was developed with the conviction that, with a solid foundation in physics, a robust, coherent and accurate numerical framework can be built without involving overly complex mathematics. As a result, the method was constructed using a set of design principles that facilitate simplicity, robustness and accuracy. The most important among them are: (i) enforcing both local and global flux conservation in space and time, with flux evaluation at an interface being an integral part of the solution procedure and requiring no interpolation or extrapolation; (ii) unifying space and time and treating them as a single entity; and (iii) requiring that a numerical scheme be built from a nondissipative core scheme such that the numerical dissipation can be effectively controlled and, as a result, will not overwhelm the physical dissipation. Part I of the workshop will be devoted to a discussion of these principles along with a description of how the ID, 2D and 3D CE/SE schemes are constructed. In Part II, various applications of the CE/SE method, particularly those involving chemical reactions and acoustics, will be presented. The workshop will be concluded with a sketch of the future research directions.

Chang, Sin-Chung↗
NASA NTRS2003

A Model for the Oxidation of C/SiC Composite Structures

A mathematical theory and an accompanying numerical scheme have been developed for predicting the oxidation behavior of C/SiC composite structures. The theory is derived from the mechanics of the flow of ideal gases through a porous solid. Within the mathematical formulation, two diffusion mechanisms are possible: (1) the relative diffusion of one species with respect to the mixture, which is concentration gradient driven and (2) the diffusion associated with the average velocity of the gas mixture, which is total gas pressure gradient driven. The result of the theoretical formulation is a set of two coupled nonlinear differential equations written in terms of the oxidant and oxide partial pressures. The differential equations must be solved simultaneously to obtain the partial vapor pressures of the oxidant and oxides as a function of space and time. The local rate of carbon oxidation is determined as a function of space and time using the map of the local oxidant partial vapor pressure along with the Arrhenius rate equation. The nonlinear differential equations are cast into matrix equations by applying the Bubnov-Galerkin weighted residual method, allowing for the solution of the differential equations numerically. The end result is a numerical scheme capable of determining the variation of the local carbon oxidation rates as a function of space and time for any arbitrary C/SiC composite structures.

Sullivan, Roy M.↗
NASA NTRS1985

Lubrication of nonconformal contacts

Minimum film thickness results for piezoviscous-rigid regime of lubrication are developed for a compressible Newtonian fluid with Roelands viscosity. The results provide a basis for the analysis and design of a wide range of machine elements operating in the piezoviscous-rigid regime of lubrication. A new numerical method of calculating elastic deformation in contact stresses is developed using a biquadratic polynomial to approximate the pressure distribution on the whole domain analyzed. The deformation of every node is expressed as a linear combination of the nodal pressures whose coefficients can be combined into an influence coefficient matrix. This approach has the advantages of improved numerical accuracy, less computing time and smaller storage size required for influence matrix. The ideal elastohydrodynamic lubrication is extended to real bearing systems in order to gain an understanding of failure mechanisms in machine elements. The improved elastic deformation calculation is successfully incorporated into the EHL numerical scheme. Using this revised numerical technique and the flow factor model developed by Patir and Cheng (1978) the surface roughness effects on the elastohydrodynamic lubrication of point contact is considered. Conditions typical of an EHL contact in the piezoviscous-elastic regime entrained in pure rolling are investigated. Results are compared with the smooth surface solutions. Experiments are conducted to study the transient EHL effects in instrument ball bearings.

Jeng, Y. R.↗
NASA NTRS1986

Theory of electrophoretic separations. II - Construction of a numerical simulation scheme and its applications

The implementation of a previously derived model describing electrophoretic transport processes is reformulated, and its usefulness is demonstrated by simulating moving boundary electrophoresis and isoelectric focusing with immobilized species. The resulting solution is stable, evolves smoothly when suitable small step sizes are used, and has a loosely defined convergence as the step sizes are made smaller. The major computational problem involves a need to use small spatial step sizes at high current levels.

Palusinski, O. A.↗
DOE OSTI2024

When ancient numerical demons meet physics-informed machine learning: adjoint-based gradients for implicit differentiable modeling

Recent advances in differentiable modeling, a genre of physics-informed machine learning that trains neural networks (NNs) together with process-based equations, have shown promise in enhancing hydrological models' accuracy, interpretability, and knowledge-discovery potential. Current differentiable models are efficient for NN-based parameter regionalization, but the simple explicit numerical schemes paired with sequential calculations (operator splitting) can incur numerical errors whose impacts on models' representation power and learned parameters are not clear. Implicit schemes, however, cannot rely on automatic differentiation to calculate gradients due to potential issues of gradient vanishing and memory demand. Here we propose a “discretize-then-optimize” adjoint method to enable differentiable implicit numerical schemes for the first time for large-scale hydrological modeling. The adjoint model demonstrates comprehensively improved performance, with Kling–Gupta efficiency coefficients, peak-flow and low-flow metrics, and evapotranspiration that moderately surpass the already-competitive explicit model. Therefore, the previous sequential-calculation approach had a detrimental impact on the model's ability to represent hydrological dynamics. Furthermore, with a structural update that describes capillary rise, the adjoint model can better describe baseflow in arid regions and also produce low flows that outperform even pure machine learning methods such as long short-term memory networks. The adjoint model rectified some parameter distortions but did not alter spatial parameter distributions, demonstrating the robustness of regionalized parameterization. Despite higher computational expenses and modest improvements, the adjoint model's success removes the barrier for complex implicit schemes to enrich differentiable modeling in hydrology.

58 GEOSCIENCES↗
NASA NTRS1989

Assessment of numerical methods for the solution of fluid dynamics equations for nonlinear resonance systems

The capability of accurate nonlinear flow analysis of resonance systems is essential in many problems, including combustion instability. Classical numerical schemes are either too diffusive or too dispersive especially for transient problems. In the last few years, significant progress has been made in the numerical methods for flows with shocks. The objective was to assess advanced shock capturing schemes on transient flows. Several numerical schemes were tested including TVD, MUSCL, ENO, FCT, and Riemann Solver Godunov type schemes. A systematic assessment was performed on scalar transport, Burgers' and gas dynamic problems. Several shock capturing schemes are compared on fast transient resonant pipe flow problems. A system of 1-D nonlinear hyperbolic gas dynamics equations is solved to predict propagation of finite amplitude waves, the wave steepening, formation, propagation, and reflection of shocks for several hundred wave cycles. It is shown that high accuracy schemes can be used for direct, exact nonlinear analysis of combustion instability problems, preserving high harmonic energy content for long periods of time.

Przekwas, A. J.↗
DOE OSTI2024

High-accuracy method for modeling nucleation and growth of particles

State-of-the-art numerical models describing the kinetics of aerosol particle nucleation and growth from a cooling vapor primarily use a nodal method, in which particles that are smaller than the critical size are omitted from consideration because they are thermodynamically unfavorable. This omission is based on the assumption that most newly formed particles are above the critical size, so that subcritical-size particles are not important to take into account. Due to the nature of the nodal method, it suffers from numerical diffusion, which can cause an artificial broadening of the cluster size distribution leading to a significant overestimation of the number of large-size particles. To address these issues, we propose a more accurate numerical method that explicitly models particles of all sizes, and uses a special numerical scheme that substantially reduces the numerical diffusion and provides high solution accuracy and numerical stability. We extensively compare this novel method to the commonly used nodal solver of the general dynamic equation (GDE) for particle growth and demonstrate that it offers GDE solutions with higher accuracy with low numerical diffusion. Incorporating small subcritical clusters into the solution is crucial for: 1) more precise determination of the entire particle size distribution function and 2) wider applicability of the model to experimental studies with non-monotonic temperature variations leading to particle evaporation. The computational code implementing this numerical method in Python is available upon request.

42 ENGINEERING↗
NASA NTRS1986

The discrete one-sided Lipschitz condition for convex scalar conservation laws

Physical solutions to convex scalar conservation laws satisfy a one-sided Lipschitz condition (OSLC) that enforces both the entropy condition and their variation boundedness. Consistency with this condition is therefore desirable for a numerical scheme and was proved for both the Godunov and the Lax-Friedrichs scheme--also, in a weakened version, for the Roe scheme, all of them being only first order accurate. A new, fully second order scheme is introduced here, which is consistent with the OSLC. The modified equation is considered and shows interesting features. Another second order scheme is then considered and numerical results are discussed.

Brenier, Yann↗
NASA NTRS1990

Parallelization of implicit finite difference schemes in computational fluid dynamics

Implicit finite difference schemes are often the preferred numerical schemes in computational fluid dynamics, requiring less stringent stability bounds than the explicit schemes. Each iteration in an implicit scheme involves global data dependencies in the form of second and higher order recurrences. Efficient parallel implementations of such iterative methods are considerably more difficult and non-intuitive. The parallelization of the implicit schemes that are used for solving the Euler and the thin layer Navier-Stokes equations and that require inversions of large linear systems in the form of block tri-diagonal and/or block penta-diagonal matrices is discussed. Three-dimensional cases are emphasized and schemes that minimize the total execution time are presented. Partitioning and scheduling schemes for alleviating the effects of the global data dependencies are described. An analysis of the communication and the computation aspects of these methods is presented. The effect of the boundary conditions on the parallel schemes is also discussed.

Decker, Naomi H.↗
NASA NTRS2002

High-Order Semi-Discrete Central-Upwind Schemes for Multi-Dimensional Hamilton-Jacobi Equations

We present high-order semi-discrete central-upwind numerical schemes for approximating solutions of multi-dimensional Hamilton-Jacobi (HJ) equations. This scheme is based on the use of fifth-order central interpolants like those developed in [1], in fluxes presented in [3]. These interpolants use the weighted essentially nonoscillatory (WENO) approach to avoid spurious oscillations near singularities, and become "central-upwind" in the semi-discrete limit. This scheme provides numerical approximations whose error is as much as an order of magnitude smaller than those in previous WENO-based fifth-order methods [2, 1]. Thee results are discussed via examples in one, two and three dimensions. We also pregnant explicit N-dimensional formulas for the fluxes, discuss their monotonicity and tl!e connection between this method and that in [2].

Bryson, Steve↗
DOE OSTI2023

Staggered scheme for the compressible fluctuating hydrodynamics of multispecies fluid mixtures

Here, we present a numerical formulation for the solution of nonisothermal, compressible Navier-Stokes equations with thermal fluctuations to describe mesoscale transport phenomena in multispecies fluid mixtures. The novelty of our numerical method is the use of staggered grid momenta along with a finite volume discretization of the thermodynamic variables to solve the resulting stochastic partial differential equations. The key advantages of the numerical scheme are that it significantly simplifies the discretization of diffusive and stochastic momentum fluxes into a more compact form, and it provides an unambiguous prescription of boundary conditions involving pressure. The staggered grid scheme more accurately reproduces the equilibrium static structure factor of hydrodynamic fluctuations in gas mixtures compared to a collocated scheme described previously by Balakrishnan et al. [Phys. Rev. E 89, 013017 (2014)1539-375510.1103/PhysRevE.89.013017]. The numerical method is tested for ideal noble gases mixtures under various nonequilibrium conditions, such as applied thermal and concentration gradients, to assess the role of cross-diffusion effects, such as Soret and Dufour, on the long-ranged correlations of hydrodynamic fluctuations, which are also more accurately reproduced compared to the collocated scheme. We numerically study giant nonequilibrium fluctuations driven by concentration gradients and fluctuation-driven Rayleigh-Taylor instability in gas mixtures. Wherever applicable, excellent agreement is observed with theory and measurements from the direct simulation Monte Carlo method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗