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NASA NTRS1978

Filtering of non-linear instabilities

For Courant numbers larger than one and cell Reynolds numbers larger than two, oscillations and in some cases instabilities are typically found with implicit numerical solutions of the fluid dynamics equations. This behavior has sometimes been associated with the loss of diagonal dominance of the coefficient matrix. It is shown that these problems can be related to the choice of the spatial differences, with the resulting instability related to aliasing or nonlinear interaction. Appropriate filtering can reduce the intensity of these oscillations and possibly eliminate the instability. These filtering procedures are equivalent to a weighted average of conservation and nonconservation differencing. The entire spectrum of filtered equations retains a three point character as well as second order spatial accuracy. Burgers equation was considered as a model.

Khosla, P. K.↗
NASA NTRS1989

Interpretation and modeling of the averaged equations for a fluid-solid flow

A self-consistent derivation of the conservation laws is given for flows of a fluid-solid mixture. A unified analytical framework for obtaining constitutive relations is provided. This analysis uses a control volume/control surface approach that is widely used in fluid mechanics. All terms in the governing equations and the constitutive relations are written in terms of the mass-weighted averages except solid concentration. It is believed that the mass-weighted average is the natural bridge between micromechanics and constitutive relations. The derived momentum equations contain terms that differ from all existing models except that of Prosperetti and Jones (1984). However, their assumptions are not needed here. Special attention is given to the solid phase pressure. The physical basis of the previously assumed form for this pressure (Givler 1987) becomes clear. A number of related phenomena are also discussed. These include the anti-diffusion and anisotropic normal stresses. The energy equations are also different from existing models.

Shen, Hayley H.↗
NASA NTRS1993

Effects of spatial order of accuracy on the computation of vortical flowfields

The effect of the order-of-accuracy, used for the spatial discretization, on the resolution of the leading edge vortices over sharp-edged delta wings is investigated. The flowfield is computed using a viscous/inviscid zonal approach. The viscous flow in the vicinity of the wing is computed using the conservative formulation of the compressible, thin-layer Navier-Stokes equations. The leeward-side vortical flowfield and the other flow regions away from the surface are computed as inviscid. The time integration is performed with both an explicit fourth-order Runge-Kutta scheme and an implicit, factorized, iterative scheme. High-order-accurate inviscid fluxes are computed using both a conservative and a non-conservative (primitive variable) formulation. The nonlinear, inviscid terms of the primitive variable form of the governing equations are evaluated with a finite-difference numerical scheme based on the sign of the eigenvalues. High-order, upwind-biased, finite difference formulas are used to evaluate the derivatives of the nonlinear convective terms. Computed results are compared with available experimental data, and comparisons of the flowfield in the vicinity of the vortex cores are presented.

Ekaterinaris, J. A.↗
DOE OSTI2020

High Temperature Erosion Modeling in Particle Based CSP Systems

1. Introduction. Wear and erosion damage of materials from solid particle and surface interactions is a major issue in various industries. Although more common in mining and oil and gas production, erosion is becoming a critical issue in renewable technologies as well such as particle based concentrated solar thermal power (CSP) systems. In particle based CSP systems, solid particles are used to absorb solar energy and as thermal storage. However, these particles may cause significant amount of wear to system components while through the system at high temperatures. This damage can be costly, and therefore, requires a greater understanding of solid particle erosion in CSP systems. Throughout the years, models and tools have been developed to predict and control erosion in industries such as oil and gas production. However, these erosion models and erosion prediction tools have been mainly developed based on erosion data for much higher velocities and lower temperatures, i.e. the operating conditions for which the existing models have been built are not pertinent to those expected in CSP system. It is known that erosion depends on many factors such as material properties, erodent particle properties, and particle impact speed and angle. However, the effect of temperature on erosion is not vastly investigated. In this work, a temperature-based correlation is introduced that will be used to modify the existing erosion models to predict erosion rates at velocities and temperatures relevant to Gen3 CSP systems. The existing models are first validated against erosion experiments run at low temperatures and low velocities. Subsequently, a temperature correction term is developed that can extend the existing models to high temperatures, based on the available experimental data showing the effect of temperature on impact erosion. 2. Erosion Models. Continuing sequence of impacts from solid particles on surfaces would result in loss of material due to mechanical interaction between solid surface and particles. Erosion equations have been developed to predict erosion under different conditions and erosion mechanism, including cutting and deformation erosion. These models are mainly either mechanistic, empirical, and semi-mechanistic models, when the latter combine the theory of the erosion mechanism and particle motion with the available experimental data. One of the first empirical correlation was introduced by American Petroleum Institute (API) Recommended Practice (RP) 14E [1]. This correlation was very conservative, and several improved empirical and semi-mechanistic equations were developed in the years following. More recently, the models introduced by Erosion/Corrosion Research Center (E/CRC) at the University of Tulsa and Arabnejad. et al. [2] are frequently used in the literature and industry, as they account for many parameters affecting erosion including particle impact speed and angle, material density and hardness, and particle size and shape. However, both these models were developed based on data at relatively high velocities and also do not take into account any mechanical changes in material associated with thermal cycling at high temperatures. 3. Erosion Prediction at High Temperatures. In this work, the accuracy of Arabnejad et al. model and E/CRC model is investigated to predict impact erosion at conditions relevant to Gen3 CSP systems. Two significant deviations expected in Gen3 systems compared to operating conditions used to build these models are particle impact velocities and system temperature. As a first step, the performance of these models was validated at low velocities and temperatures. Impact erosion experiments were conducted on SS316 coupons using HSP 40/70 ceramic particles. Assuming particle rate of 1 kg/s/m, 0.0254 m of particle curtain thickness, and particle velocity of 1.5 m/s in the system, an overall erosion of 0.59 mm/year was calculated. The experimental results were subsequently compared to those from computational simulations and erosion of 0.47 mm/year was obtained using the Arabnejad et al. model. The results indicated that the models work well at low velocities and low temperature conditions. To account for temperature effect, a mathematical correlation was developed using data published by DUCOM [3] for Inconel 600 eroded by alumina particles at high velocities. The correlation was applied to both Arabnejad et. al model and the E/CRC model. The prediction results from these modified models were within 20% of this experimental data. Predictions of of erosion by the modified E/CRC model at three different temperatures are made. Similar to the calculation at low temperature, a typical CSP system with 1 kg/s/m of particle flow rate per unit length of the particle curtain and a curtain thickness of 0.0254 m is assumed. The annual thickness loss calculations were run for different particle impact velocities, assuming a uniform particle impact area equal to the cross-sectional area of the curtain (particle-particle interactions and dispersion of particles are not considered in obtaining the results). It is observed that erosion increases exponentially as temperature increases. Furthermore, it is also noted that, erosion changes non-linearly with impact velocity. Currently, experiments are also being conducted to measure erosion of SS316 at 800 ºC with HSP 40/70 particles at low impact velocities. We expect to use the results from high temperature testing to further improve the temperature correlation function. Similar models are also being developed for abrasion erosion resulting from particle sliding along the surfaces as well as attrition from particle to particle and particle to surface interactions. References. [1] Institute, A. P. (1991). API Recommended Practice for Design and Installation of Offshore Production Platform Piping System, API RP 14E. [2] Arabnejad, H., Mansouri, A., Shirazi, S. A., and McLaury, B. S. (2015a). Development of mechanistic erosion equation for solid particles. Wear, 332–333, 1044–1050. http://doi.org/10.1016/j.wear.2015.01.031. [3] https://ducom.com/high-temperature-erosion-evaluating-sample-wear/

14 SOLAR ENERGY↗
DOE OSTI2021

Phase-field modeling of rate-dependent fluid-driven fracture initiation and propagation

The rate-dependent behavior associated with deformation and fracturing of materials, such as natural rocks, poses significant challenges for modeling. In addition to the complications of the viscoelastic response, the speed of fracture propagation reflects micromechanical mechanisms in the fracture process zone(FPZ). In order to represent these complicated behaviors, a thermodynamically consistent, rate-dependent fracture model is required. Based on rigorous thermodynamic principles, we derive a rate-dependent phase-field mechanical model coupled with single-phase fluid flow in both the matrix and the fracture. The model is guaranteed to satisfy energy conservation during fracture propagation. Here, the system of equations is solved using the introduced solution procedure and a novel preconditioner that accounts for the complex fluid-structure interaction. The proposed phase-field model is tested against several benchmark problems on solid-fluid coupling, fluid-driven fracture propagation and rate-dependent viscoelastic deformation. The model serves as a strong basis for investigating rate-dependent fracturing experiments and for making predictions of material behaviors under new conditions.

42 ENGINEERING↗
DOE OSTI2024

The MOOSE fluid properties module

The Fluid Properties module within the Multiphysics Object-Oriented Simulation Environment (MOOSE) is used to compute fluid properties for numerous applications, ranging from nuclear reactor thermal hydraulics to geothermal energy. Those applications drove the development of the module to enable numerous different fluid equations of states, property lookups with primitive and conserved flow variable to cater to pressure and density-driven solvers, and an object-oriented design facilitating expansion and maintenance. Each fluid property is implemented in its own class but inherits capabilities such as automatic differentiation, automated out-of-bounds handling or variable conversion capabilities. Here, this paper presents the module, its design, its user and developer interface, its content in terms of fluids and properties, and several of its applications showing its major role in the MOOSE simulation ecosystem.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Advanced two-phase subchannel method via non-linear iteration

A fast-running, robust two-phase flow, sub-channel model is presented based on non-linear solution of the steady-state subchannel fluid flow equations. The drift-flux model solves for conservation of liquid and vapor mass, mixture energy, and axial and transverse mixture momentum as part of an efficient planar marching scheme and nonlinear, nested outer and inner iteration. Here, models based on mechanistic subcooled boiling, two-phase turbulent void mixing, and drift are included. Solution verification and mesh convergence studies were performed for modern GE 10 × 10 fuel geometry and are shown to have excellent convergence behavior. Run time performance for a 50 axial mesh model showed 2.2 seconds on a single CPU core to tightly converge all 3D distributions (flow, void, pressure) for the GE 10 × 10 fuel geometry, supporting its efficient use within the Virtual Environment for Reactor Applications boiling water reactor framework.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Fluctuations in heavy ion collisions and global conservation effects

Subensemble is a type of statistical ensemble which is the generalization of grand canonical and canonical ensembles. The subensemble acceptance method (SAM) provides general formulas to correct the cumulants of distributions in heavy-ion collisions for the global conservation of all QCD charges. The method is applicable for an arbitrary equation of state and sufficiently large systems, such as those created in central collisions of heavy ions. The new fluctuation measures insensitive to global conservation effects are presented. The main results are illustrated in the hadron resonance gas and van der Waals fluid frameworks.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Physics-constrained, low-dimensional models for magnetohydrodynamics: First-principles and data-driven approaches

Plasmas are highly nonlinear and multiscale, motivating a hierarchy of models to understand and describe their behavior. However, there is a scarcity of plasma models of lower fidelity than magnetohydrodynamics (MHD), although these reduced models hold promise for understanding key physical mechanisms, efficient computation, and real-time optimization and control. Galerkin models, obtained by projection of the MHD equations onto a truncated modal basis, and data-driven models, obtained by modern machine learning and system identification, can furnish this gap in the lower levels of the model hierarchy. This work develops a reduced-order modeling framework for compressible plasmas, leveraging decades of progress in projection-based and data-driven modeling of fluids. We begin by formalizing projection-based model reduction for nonlinear MHD systems. To avoid separate modal decompositions for the magnetic, velocity, and pressure fields, we introduce an energy inner product to synthesize all of the fields into a dimensionally consistent, reduced-order basis. Next, we obtain an analytic model by Galerkin projection of the Hall-MHD equations onto these modes. We illustrate how global conservation laws constrain the model parameters, revealing symmetries that can be enforced in data-driven models, directly connecting these models to the underlying physics. We demonstrate the effectiveness of this approach on data from high-fidelity numerical simulations of a three-dimensional spheromak experiment. Finally, this manuscript builds a bridge to the extensive Galerkin literature in fluid mechanics and facilitates future principled development of projection-based and data-driven models for plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

iharm3D: Vectorized General Relativistic Magnetohydrodynamics

iharm3D is an open-source C code for simulating black hole accretion systems in arbitrary stationary spacetimes using ideal general-relativistic magnetohydrodynamics (GRMHD). It is an implementation of the HARM (“High Accuracy Relativistic Magnetohydrodynamics”) algorithm outlined in Gammie et al. (2003) with updates as outlined in McKinney & Gammie (2004) and Noble et al. (2006). The code is most directly derived from Ryan et al. (2015) but with radiative transfer portions removed. HARM is a conservative finite-volume scheme for solving the equations of ideal GRMHD, a hyperbolic system of partial differential equations, on a logically Cartesian mesh in arbitrary coordinates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Simulating coupled surface–subsurface flows with ParFlow v3.5.0: capabilities, applications, and ongoing development of an open-source, massively parallel, integrated hydrologic model

Surface flow and subsurface flow constitute a naturally linked hydrologic continuum that has not traditionally been simulated in an integrated fashion. Recognizing the interactions between these systems has encouraged the development of integrated hydrologic models (IHMs) capable of treating surface and subsurface systems as a single integrated resource. IHMs are dynamically evolving with improvements in technology, and the extent of their current capabilities are often only known to the developers and not general users. This article provides an overview of the core functionality, capability, applications, and ongoing development of one open-source IHM, ParFlow. ParFlow is a parallel, integrated, hydrologic model that simulates surface and subsurface flows. ParFlow solves the Richards equation for three-dimensional variably saturated groundwater flow and the two-dimensional kinematic wave approximation of the shallow water equations for overland flow. The model employs a conservative centered finite-difference scheme and a conservative finite-volume method for subsurface flow and transport, respectively. ParFlow uses multigrid-preconditioned Krylov and Newton–Krylov methods to solve the linear and nonlinear systems within each time step of the flow simulations. The code has demonstrated very efficient parallel solution capabilities. ParFlow has been coupled to geochemical reaction, land surface (e.g., the Common Land Model), and atmospheric models to study the interactions among the subsurface, land surface, and atmosphere systems across different spatial scales. This overview focuses on the current capabilities of the code, the core simulation engine, and the primary couplings of the subsurface model to other codes, taking a high-level perspective.

58 GEOSCIENCES↗
NASA NTRS1977

New contributions to the problem of capture

Libration-point capture is analyzed in the framework of the restricted three-body problem in order to obtain general results capable of predicting the major features of an arbitrary postcapture orbit, with specific reference to capture as the presumed mode of origin of Jupiter's outer satellites. Some examples of libration-point capture are computed, the time a body remains captured is estimated, and a long-term numerical integration of orbits is carried out which shows that the equation used to estimate capture lifetimes is quite conservative. An extended capture criterion is proposed and used to demonstrate that direct postcapture orbits lie outside retrograde ones. Mass change involving one or both primaries is evaluated as a means of producing permanent capture, it is found that mass-change effects can produce 'pull-down capture', and consideration is given to the orbital evolution of Jupiter's outer satellites. The effect of drag in the solar nebula or in a nebula around proto-Jupiter on the capture process is briefly investigated. It is concluded that a capture origin for the outer satellites is improbable within the last 4.6 billion years but that either mass change or nebula drag could have been effective in producing capture.

Heppenheimer, T. A.↗
NASA NTRS1984

A dynamical basis for the parameterization of organized deep convection in large-scale numerical models

A hierarchy of steady, nonlinear, semianalytic models of different types of convection were produced. These provide a theoretical framework for determining cloud outflow fluxes of both dynamic and thermodynamic quantities, which can be used to formulate dynamical transports in parameterization schemes. This was achieved by exploiting certain Lagrangian conservation properties of steady flow, from which an equation for the vertical displacement of particles can be obtained and the outflow entropy, energy and momentum fluxes and the infow/outflow mass fluxes can be determined from solution to the equation. These fluxes are determined in terms of grid scale parameters such as convective available potential energy (CAPE), cloud layer shear, and horizontal pressure gradients. Five main types of system models are identified, respectively representing archtypes of convection in zero shear, large shear, midlatitude squall lines, tropical squall lines and cellular convection. The downdraught is an important aspect in the first four of these and the cloud scale transport of momentum is very distinctive.

Moncrieff, M. W.↗
NASA NTRS1985

A nonoscillatory shock capturing scheme using flux limited dissipation

A method for modifying the third order dissipative terms by the introduction of flux limiters is proposed. The first order dissipative terms can then be eliminated entirely, and in the case of a scalar conservation law the scheme is converted into a total variation diminishing scheme provided that an appropriate value is chosen for the dissipative coefficient. Particular attention is given to: (1) the treatment of the scalar conservation law; (2) the treatment of the Euler equations for inviscid compressible flow; (3) the boundary conditions; and (4) multistage time stepping and multigrid schemes. Numerical results for transonic flows suggest that a central difference scheme augmented by flux limited dissipative terms can lead to an effective nonoscillatory shock capturing method.

Jameson, A.↗
NASA NTRS1986

An implicit flux-difference splitting scheme for three-dimensional, incompressible Navier-Stokes solutions to leading edge vortex flows

A new, implicit finite-difference scheme designed to solve the conservative, flux-difference split Navier-Stokes equations is used to compute incompressible vortex flows around delta wings. The completely vectorizable hybrid algorithm is constructed in delta form for steady state solutions independent of the time-step sizes. The scheme combines approximate factorization in crossflow planes with a symmetric planar Gauss-Seidel relaxation in the remaining spatial direction. The governing equations are solved in curvilinear, body-fitted coordinates for treating complex geometries. The computed flow field results are compared with other theoretical and experimental data.

Hartwich, P.-M.↗
NASA NTRS1988

Consistent boundary conditions for Reduced Navier-Stokes (RNS) scheme applied to 3-dimensional internal viscous flows

A consistent and efficient set of boundary conditions is developed for the multi-sweep space-marching pressure-elliptic Reduced Navier-Stokes (RNS) scheme as applied for 3-D internal viscous flow problems. No-slip boundary conditions are directly imposed on the solid walls. There is no iteration procedure required in the cross plane to ensure mass conservation across each marching plane. The finite difference equations forming the coefficient matrix are ordered such that the surface normal velocity is specified on all the solid walls; unlike external flows, a pressure boundary condition in the cross plane is not required. Since continuity is directly satisfied at all points in the flow domain, the first order momentum equations can be solved directly for the pressure without the need for a Poisson pressure correction equation. The procedure developed herein can also be applied with periodic boundary conditions. The analysis is given for general compressible flows. Incompressible flow solutions are obtained, for straight and curved ducts of square cross section, to validate the procedure. These solutions are used to demonstrate the applicability of the RNS scheme, with the improved boundary conditions for internal flows with strong interaction, as would be encountered in ducts and turbomachinery geometries.

Reddy, D. R.↗
NASA NTRS1988

High-resolution shock-capturing schemes for inviscid and viscous hypersonic flows

A class of implicit Total Variation Diminishing (TVD) type algorithms suitable for transonic and supersonic multidimensional Euler and Navier-Stokes equations was extended to hypersonic computations. The improved conservative shock-capturing schemes are spatially second- and third-order, and are fully implicit. They can be first- or second-order accurate in time and are suitable for either steady or unsteady calculations. Enhancement of stability and convergence rate for hypersonic flows is discussed. With the proper choice of the temporal discretization and suitable implicit linearization, these schemes are fairly efficient and accurate for very complex two-dimensional hypersonic inviscid and viscous shock interactions. This study is complimented by a variety of steady and unsteady viscous and inviscid hypersonic blunt-body flow computations. Due to the inherent stiffness of viscous flow problems, numerical experiments indicated that the convergence rate is in general slower for viscous flows than for inviscid steady flows.

Yee, H. C.↗
NASA NTRS1988

A conservative approach for flow field calculations on multiple grids

In the computation of flow fields about complex configurations, it is very difficult to construct body-fitted coordinate systems. An alternative approach is to use several grids at once, each of which is generated independently. This procedure is called the 'multiple grids' or 'zonal grids' approach and its applications are investigated in this study. The method follows the conservative approach and provides conservation of fluxes at grid interfaces. The Euler equations are solved numerically on such grids for various configurations. The numerical scheme used is the finite-volume technique with a three-stage Runge-Kutta time integration. The code is vectorized and programmed to run on the CDC VPS-32 computer. Some steady state solutions of the Euler equations are presented and discussed.

Kathong, M.↗