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Simulation of Gas Production from Multilayered Hydrate-Bearing Media with Fully Coupled Flow, Thermal, Chemical and Geomechanical Processes Using TOUGH+Millstone. Part 2: Geomechanical Formulation and Numerical Coupling

The TOUGH+Millstone simulator has been developed for the analysis of coupled flow, thermal and geomechanical processes associated with the formation and/or dissociation of CH 4 hydrates in geological media. It is composed of two constituent codes: (a) a significantly enhanced version of the TOUGH+HYDRATE simulator, v2.0, that accounts for all known flow, physical, thermodynamic and chemical processes associated with the behavior of hydrate-bearing systems undergoing changes and includes the most recent advances in the description of the system properties, coupled seamlessly with (b) Millstone v1.0, a new code that addresses the conceptual, computational and mathematical shortcomings of earlier codes used to describe the geomechanical response of these systems. The capabilities of the TOUGH+Millstone code are demonstrated in the simulation and analysis of the system flow, thermal and geomechanical behavior during gas production from a realistic complex offshore hydrate deposit. In the second part of this series, we describe the Millstone geomechanical simulator. The hydrate-dependent, rate-based poromechanical formulation is presented and solved using a finite element discretization. A novel multimesh coupling scheme is introduced, wherein interpolators are automatically built to transfer data between the finite difference discretization of TOUGH+ and the finite element discretization of Millstone. We provide verification examples against analytic solutions for poroelasticity and a simplified demonstration problem for mechanically induced phase change in a hydrate sediment.

58 GEOSCIENCES↗

MPACT Theory Manual (V.4.3)

This manual presents the theory underlying the three-dimensional (3D) whole-core, pin-resolved neutron transport calculation methodologies employed in the MPACT code. MPACT’s primary goal is to provide accurate sub-pin power distributions in a computationally efficient manner. To accomplish this, MPACT offers several different transport method options. The 2D/1D method, in which 3D problems are decomposed into an axial stack of radial “slices,” is currently the most commonly used. In this option, two-dimensional (2D) planar solutions are provided by the method of characteristics (MOC), and axial solutions are provided via one-dimensional (1D) approximate diffusion, or P3 solutions. The radial and axial solutions are coupled by (i) axial and radial transverse leakages, and (ii) a global 3D coarse mesh finite difference (CMFD) solve, which provides both acceleration and stability to the solution iteration scheme. The subsequent chapters of this manual present a range of topics, including MOC, CMFD, axial nodal transport solvers, 2D/1D, self-shielding, depletion, thermal-hydraulics, and transient methods. Development of the underlying theory of the 2D/1D method is presented, diagrams are included to highlight important algorithmic flow, and important concepts are discussed as appropriate. This manual is intended to be self-sufficient, but references to published articles and other materials are included for further reading. MPACT is a relatively new code, with new capabilities and many computational methods that did not exist until recently. This manual is an even newer document, with chapters written by several different code contributors working under time constraints. For these reasons, the manual is not yet complete and finalized. Future versions of this manual will address current deficiencies.

97 MATHEMATICS AND COMPUTING↗

Higher-order numerical methods derived from three-point polynomial interpolation

Higher-order collocation procedures resulting in tridiagonal matrix systems are derived from polynomial spline interpolation and Hermitian finite-difference discretization. The equations generally apply for both uniform and variable meshes. Hybrid schemes resulting from different polynomial approximations for first and second derivatives lead to the nonuniform mesh extension of the so-called compact or Pade difference techniques. A variety of fourth-order methods are described and this concept is extended to sixth-order. Solutions with these procedures are presented for the similar and non-similar boundary layer equations with and without mass transfer, the Burgers equation, and the incompressible viscous flow in a driven cavity. Finally, the interpolation procedure is used to derive higher-order temporal integration schemes and results are shown for the diffusion equation.

Rubin, S. G.↗

Finite element dynamic analysis on CDC STAR-100 computer

Computational algorithms are presented for the finite element dynamic analysis of structures on the CDC STAR-100 computer. The spatial behavior is described using higher-order finite elements. The temporal behavior is approximated by using either the central difference explicit scheme or Newmark's implicit scheme. In each case the analysis is broken up into a number of basic macro-operations. Discussion is focused on the organization of the computation and the mode of storage of different arrays to take advantage of the STAR pipeline capability. The potential of the proposed algorithms is discussed and CPU times are given for performing the different macro-operations for a shell modeled by higher order composite shallow shell elements having 80 degrees of freedom.

Noor, A. K.↗

A comparison of finite difference methods for solving Laplace's equation on curvilinear coordinate systems

Various finite difference techniques used to solve Laplace's equation are compared. Curvilinear coordinate systems are used on two dimensional regions with irregular boundaries, specifically, regions around circles and airfoils. Truncation errors are analyzed for three different finite difference methods. The false boundary method and two point and three point extrapolation schemes, used when having the Neumann boundary condition are considered and the effects of spacing and nonorthogonality in the coordinate systems are studied.

Mccoy, M. J.↗

Application of the method of integral relations to unsteady fluid flow problems with shocks

A mixed method using both the method of integral relations and the finite difference technique is developed for the solution of unsteady flow problems. The integral relations method is based upon a chosen interpolating function dependent only on the time domain. The resulting local semidiscrete finite element equations obtained are assembled into a global form. The spatial derivatives at the nodes are replaced by finite difference operators and the discretized nonlinear algebraic system is solved by an iterative scheme. Solutions are obtained for the one-dimensional gasdynamics equation, the one-dimensional wave equation and Burger's model of turbulence. Agreement with other numerical and analytical solutions is excellent for the gasdynamics problem and satisfactory for the Burger equation in cases of small viscous effects.

Wadia, A. R.↗

Multigrid methods and high order finite difference for flow in transition - Effects of isolated and distributed roughness elements

The high order finite difference and multigrid methods have been successfully applied to direct numerical simulation (DNS) for flow transition in 3D channels and 3D boundary layers with 2D and 3D isolated and distributed roughness in a curvilinear coordinate system. A fourth-order finite difference technique on stretched and staggered grids, a fully-implicit time marching scheme, a semicoarsening multigrid method associated with line distributive relaxation scheme, and a new treatment of the outflow boundary condition, which needs only a very short buffer domain to damp all wave reflection, are developed. These approaches make the multigrid DNS code very accurate and efficient. This makes us not only able to do spatial DNS for the 3D channel and flat plate at low computational costs, but also able to do spatial DNS for transition in the 3D boundary layer with 3D single and multiple roughness elements. Numerical results show good agreement with the linear stability theory, the secondary instability theory, and a number of laboratory experiments.

Liu, C.↗

Multigrid methods for flow transition in three-dimensional boundary layers with surface roughness

The efficient multilevel adaptive method has been successfully applied to perform direct numerical simulations (DNS) of flow transition in 3-D channels and 3-D boundary layers with 2-D and 3-D isolated and distributed roughness in a curvilinear coordinate system. A fourth-order finite difference technique on stretched and staggered grids, a fully-implicit time marching scheme, a semi-coarsening multigrid method associated with line distributive relaxation scheme, and an improved outflow boundary-condition treatment, which needs only a very short buffer domain to damp all order-one wave reflections, are developed. These approaches make the multigrid DNS code very accurate and efficient. This allows us not only to be able to do spatial DNS for the 3-D channel and flat plate at low computational costs, but also to do spatial DNS for transition in the 3-D boundary layer with 3-D single and multiple roughness elements, which would have extremely high computational costs with conventional methods. Numerical results show good agreement with the linear stability theory, the secondary instability theory, and a number of laboratory experiments. The contribution of isolated and distributed roughness to transition is analyzed.

Liu, Chaoqun↗

Three Dimensional Constraint Effects on the Estimated (Delta)CTOD during the Numerical Simulation of Different Fatigue Threshold Testing Techniques

Variation in constraint through the thickness of a specimen effects the cyclic crack-tip-opening displacement (DELTA CTOD). DELTA CTOD is a valuable measure of crack growth behavior, indicating closure development, constraint variations and load history effects. Fatigue loading with a continual load reduction was used to simulate the load history associated with fatigue crack growth threshold measurements. The constraint effect on the estimated DELTA CTOD is studied by carrying out three-dimensional elastic-plastic finite element simulations. The analysis involves numerical simulation of different standard fatigue threshold test schemes to determine how each test scheme affects DELTA CTOD. The American Society for Testing and Materials (ASTM) prescribes standard load reduction procedures for threshold testing using either the constant stress ratio (R) or constant maximum stress intensity (K(sub max)) methods. Different specimen types defined in the standard, namely the compact tension, C(T), and middle cracked tension, M(T), specimens were used in this simulation. The threshold simulations were conducted with different initial K(sub max) values to study its effect on estimated DELTA CTOD. During each simulation, the DELTA CTOD was estimated at every load increment during the load reduction procedure. Previous numerical simulation results indicate that the constant R load reduction method generates a plastic wake resulting in remote crack closure during unloading. Upon reloading, this remote contact location was observed to remain in contact well after the crack tip was fully open. The final region to open is located at the point at which the load reduction was initiated and at the free surface of the specimen. However, simulations carried out using the constant Kmax load reduction procedure did not indicate remote crack closure. Previous analysis results using various starting K(sub max) values and different load reduction rates have indicated DELTA CTOD is independent of specimen size. A study of the effect of specimen thickness and geometry on the measured DELTA CTOD for various load reduction procedures and its implication in the estimation of fatigue crack growth threshold values is discussed.

Seshadri, Banavara R.↗

Improvements to the Griffin Transport Solvers

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE) based reactor multiphysics analysis application jointly developed by Idaho National Laboratory and Argonne National Laboratory. The code includes a variety of steady-state solvers for fixed-source, k-eigenvalue, adjoint, and subcritical multiplication, as well as transient solvers for point-kinetics, improved quasi-static, and spatial dynamics. This document summarizes the transport solver development efforts pursued during Fiscal Year 2022. We added the multiphysics transient capability for the coarse-mesh finite difference accelerated Richardson iteration for discontinuous finite element method discrete ordinates (DFEM-SN) scheme to support high-order heterogeneous transport simulations. HFEM (hybrid finite element method) - PN (spherical harmonics expansion) was completed and red-black iteration was added for solving the HFEM-PN system with both preconditioned Jacobian-free Newton Krylov and Richardson iteration solvers. The HFEM-PN scheme, as one of the low-order transport schemes, is expected for supporting routine design simulations. Pin power reconstruction capability was also designed and implemented with the Griffin ISOXML module to enhance all the low-order transport solvers for more accurate multiphysics simulations. Numerical results are presented for demonstrating the capabilities and verifying their performance, and future works are discussed.

97 MATHEMATICS AND COMPUTING↗

A robust fourth-order finite-difference discretization for the strongly anisotropic transport equation in magnetized plasmas

We propose a second-order temporally implicit, fourth-order-accurate spatial discretization scheme for the strongly anisotropic heat transport equation characteristic of hot, fusion-grade plasmas. Following Du Toit et al. (2018), the scheme transforms mixed-derivative diffusion fluxes (which are responsible for the lack of a discrete maximum principle) into nonlinear advective fluxes, amenable to nonlinear-solver-friendly monotonicity-preserving limiters. The scheme enables accurate multi-dimensional heat transport simulations with up to seven orders of magnitude of heat-transport-coefficient anisotropies with low cross-field numerical error pollution and excellent algorithmic performance, with the number of linear iterations scaling very weakly with grid resolution and grid anisotropy, and scaling with the square-root of the implicit timestep. We propose a multigrid preconditioning strategy based on a lower-order approximation that renders the scheme efficient and scalable under grid refinement. Several numerical tests are presented that display the expected spatial convergence rates and strong algorithmic performance, including fully nonlinear magnetohydrodynamics simulations of kink instabilities in a Bennett pinch in 2D helical geometry and of ITER in 3D toroidal geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A multispecies, multifluid model for laser–induced counterstreaming plasma simulations

The interpenetration of counterstreaming plasmas is a critical phenomenon in several application areas, such as astrophysical flows, design of controlled fusion devices, and laser–induced plasma experiments. Multispecies “single-fluid” codes are unable to model this phenomenon due to the single velocity representation for all the species/fluids. Kinetic codes, though capable of modeling interpenetration, are computationally prohibitive for at-scale simulations. Here, we introduce a multifluid model that solves the fluid equations for each ion fluid or stream. This allows distinct flows that interact with each other through electrostatic and collisional forces. We observe and describe our code, EUCLID, that uses a conservative finite-difference formulation to discretize the governing equations in space. The 5th-order Monotonicity-Preserving WENO scheme is used for the upwind approximation of the hyperbolic flux, and the explicit 4th-order Runge–Kutta scheme is used for time integration. The code is verified for several benchmark cases and manufactured solutions. We simulate one- and two-dimensional interactions of counterstreaming plasmas in vacuum as well as in the presence of gas fill, where the setups are representative of laser-induced plasma experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A chimera grid scheme

A mesh system composed of multiple overset body-conforming grids is described for adapting finite-difference procedures to complex aircraft configurations. In this so-called 'chimera mesh,' a major grid is generated about a main component of the configuration and overset minor grids are used to resolve all other features. Methods for connecting overset multiple grids and modifications of flow-simulation algorithms are discussed. Computational tests in two dimensions indicate that the use of multiple overset grids can simplify the task of grid generation without an adverse effect on flow-field algorithms and computer code complexity.

Steger, J. L.↗

A Coarse-Mesh Nonlinear Diffusion Acceleration Scheme with Local Refinement for Neutron Transport Calculations

The coarse-mesh nonlinear diffusion acceleration (CM-NDA) technique, or commonly known as coarse-mesh finite difference (CMFD), is one of the most widely used acceleration methods for numerical transport calculations. Although CM-NDA is very effective to reduce the iteration number of neutron transport sweep, it can sometimes become unstable, in particularly when the coarse mesh size becomes large. Over the last two decades a number of ad hoc techniques have been developed to stabilize the CM-NDA scheme. In this paper, we present a new scheme, LR-NDA, which is based on CM-NDA with local refinement. Within the CM-NDA framework, the LR-NDA scheme incorporates solving an additional local boundary-value problem (BVP) of the neutron flux on each individual coarse mesh cell, yielding a finer flux profile than CMNDA. Our assessments show that this new scheme can significantly improve the effectiveness of CM-NDA, and more importantly it is very stable even for extremely high optical thickness. A great feature of LR-NDA is that it is fully adaptive, which means that it can be easily applied to any local region of the problem domain, and local refinement can be performed using any numerical method (e.g., finite difference, finite element, or spectral element, etc.). (authors)

42 ENGINEERING↗

Development of Numerical Codes for Modeling Electromagnetic Behavior at High Frequencies Near Large Objects

A study into the problem of determining electromagnetic solutions at high frequencies for problems involving complex geometries, large sizes and multiple sources (e.g. antennas) has been initiated. Typical applications include the behavior of antennas (and radiators) installed on complex conducting structures (e.g. ships, aircrafts, etc..) with strong interactions between antennas, the radiation patterns, and electromagnetic signals is of great interest for electromagnetic compatibility control. This includes the overall performance evaluation and control of all on-board radiating systems, electromagnetic interference, and personnel radiation hazards. Electromagnetic computational capability exists at NASA LaRC, and many of the codes developed are based on the Moment Method (MM). However, the MM is computationally intensive, and this places a limit on the size of objects and structures that can be modeled. Here, two approaches are proposed: (i) a current-based hybrid scheme that combines the MM with Physical optics, and (ii) an Alternating Direction Implicit-Finite Difference Time Domain (ADI-FDTD) method. The essence of a hybrid technique is to split the overall scattering surface(s) into two regions: (a) a MM zone (MMZ) which can be used over any part of the given geometry, but is most essential over irregular and "non-smooth" geometries, and (b) a PO sub-region (POSR). Currents induced on the scattering and reflecting surfaces can then be computed in two ways depending on whether the region belonged to the MMZ or was part of the POSR. For the MMZ, the current calculations proceed in terms of basis functions with undetermined coefficients (as in the usual MM method), and the answer obtained by solving a system of linear equations. Over the POSR, conduction is obtained as a superposition of two contributions: (i) currents due to the incident magnetic field, and (ii) currents produced by the mutual induction from conduction within the MMZ. This effectively leads to a reduction in the size of linear equations from N to N - Npo with N being the total number of segments for the entire surface and Npo the number of segments over the POSR. The scheme would be appropriate for relatively large, flat surfaces, and at high frequencies. The ADI-FDTD scheme provides for both transient and steady state analyses. The restrictive Courant-Friedrich-Levy (CFL) condition on the time-step is removed, and so large time steps can be chosen even though the spatial grids are small. This report includes the problem definition, a detailed discussion of both the numerical techniques, and numerical implementations for simple surface geometries. Numerical solutions have been derived for a few simple situations.

Joshi, R. P.↗

A rapid numerical solution to subsonic flow over planar and axisymmetric profiles at an angle of attack of 0 deg

A numerical solution is presented for the incompressible flow over thin planar and axisymmetric profiles at an angle of attack of 0 degrees. The method uses a finite-difference field solution to the governing equation with a Gauss-Seidel successive overrelaxation scheme. However, the use of a simple Cartesian grid system restricts this method to slender profiles. Results are presented for a cambered airfoil, airfoil in wall effect (two-dimensional flowthrough inlet), body of revolution, and flowthrough nacelle. A computer program is presented which can be used for any of the previously mentioned cases with simple input changes. Results for compressible flow are available with the use of the appropriate two-dimensional or axisymmetric compressibility corrections. Computational time for a typical field calculation of 3000 grid points and 200 cycles through the field is less than 1 minute with less than 50,000 octal storage on the Control Data Corporation 6600 computing system.

Mascitti, V. R.↗

The modified equation approach to the stability and accuracy analysis of finite-difference methods

The stability and accuracy of finite-difference approximations to simple linear partial differential equations are analyzed by studying the modified partial differential equation. Aside from round-off error, the modified equation represents the actual partial differential equation solved when a numerical solution is computed using a finite-difference equation. The modified equation is derived by first expanding each term of a difference scheme in a Taylor series and then eliminating time derivatives higher than first order by certain algebraic manipulations. The connection between 'heuristic' stability theory based on the modified equation approach and the von Neumann (Fourier) method is established. In addition to the determination of necessary and sufficient conditions for computational stability, a truncated version of the modified equation can be used to gain insight into the nature of both dissipative and dispersive errors.

Warming, R. F.↗

A numerical model of acoustic choking. II - Shocked solutions

The one dimensional equations of gas dynamics are used to model subsonic acoustic choking. This model can accommodate non-linear distortion of waves and the eventual formation of shock waves. Several finite differencing schemes are adapted to obtain solutions. The results obtained with the various schemes are compared with the asymptotic results available. The results suggest that no one finite differencing scheme gives solutions significantly better than the others and that most of the difference solutions are close to the asymptotic results. If the acoustic shock wave is sufficiently strong it almost annihilates the acoustic wave; in this situation numerical errors may dominate the results. Such solutions involve very large acoustic attenuations.

Walkington, N. J.↗