Positive solution of two-dimensional solute transport in heterogeneous aquifers

The transport of contaminants in aquifers is usually represented by a convection-dispersion equation. There are several well-known problems of oscillation and artificial dispersion that affect the numerical solution of this equation. For example, several studies have shown that standard treatment of the cross-dispersion terms always leads to a negative concentration. It is also well known that the numerical solution of the convective term is affected by spurious oscillations or substantial numerical dispersion. These difficulties are especially significant for solute transport in nonuniform flow in heterogeneous aquifers. For the case of coupled reactive-transport models, even small negative concentration values can become amplified through nonlinear reaction source/sink terms and thus result in physically erroneous and unstable results. This paper includes a brief discussion about how nonpositive concentrations arise from numerical solution of the convection and cross-dispersion terms. We demonstrate the effectiveness of directional splitting with one-dimensional flux limiters for the convection term. Also, a new numerical scheme for the dispersion term that preserves positivity is presented. The results of the proposed convection scheme and the solution given by the new method to compute dispersion are compared with standard numerical methods as used in MT3DMS.     

Coupled groundwater flow and transport: 1. Verification of variable density flow and transport models

This work examines variable density flow and corresponding solute transport in groundwater systems. Fluid dynamics of salty solutions with significant density variations are of increasing interest in many problems of subsurface hydrology. The mathematical model comprises a set of non-linear, coupled, partial differential equations to be solved for pressure/hydraulic head and mass fraction/concentration of the solute component. The governing equations and underlying assumptions are developed and discussed. The equation of solute mass conservation is formulated in terms of mass fraction and mass concentration. Different levels of the approximation of density variations in the mass balance equations are used for convection problems (e.g. the Boussinesq approximation and its extension, fully density approximation). The impact of these simplifications is studied by use of numerical modelling.Numerical models for nonlinear problems, such as density-driven convection, must be carefully verified in a particular series of tests. Standard benchmarks for proving variable density flow models are the Henry, Elder, and salt dome (HYDROCOIN level 1 case 5) problems. We studied these benchmarks using two finite element simulators - ROCKFLOW, which was developed at the Institute of Fluid Mechanics and Computer Applications in Civil Engineering and FEFLOW, which was developed at the Institute for Water Resources Planning and Systems Research Ltd. Although both simulators are based on the Galerkin finite element method, they differ in many approximation details such as temporal discretization (Crank-Nicolson vs predictor-corrector schemes), spatial discretization (triangular and quadrilateral elements), finite element basis functions (linear, bilinear, biquadratic), iteration schemes (Newton, Picard) and solvers (direct, iterative). The numerical analysis illustrates discretization effects and defects arising from the different levels of the density of approximation. We contribute new results for the salt dome problem, for which inconsistent findings exist in literature. Applications of the verified numerical models to more complex problems, such as thermohaline and three-dimensional convection systems, will be presented in the second part of this paper.     

New preconditioning strategy for Jacobian-free solvers for variably saturated flows with Richards’ equation

We develop a new approach for solving the nonlinear Richards’ equation arising in variably saturated flow modeling. The growing complexity of geometric models for simulation of subsurface flows leads to the necessity of using unstructured meshes and advanced discretization methods. Typically, a numerical solution is obtained by first discretizing PDEs and then solving the resulting system of nonlinear discrete equations with a Newton-Raphson-type method. Efficiency and robustness of the existing solvers rely on many factors, including an empiric quality control of intermediate iterates, complexity of the employed discretization method and a customized preconditioner. We propose and analyze a new preconditioning strategy that is based on a stable discretization of the continuum Jacobian. We will show with numerical experiments for challenging problems in subsurface hydrology that this new preconditioner improves convergence of the existing Jacobian-free solvers 3-20 times. We also show that the Picard method with this preconditioner becomes a more efficient nonlinear solver than a few widely used Jacobian-free solvers.     

A heuristic framework for next-generation models of geostrophic convective turbulence

Many geophysical and astrophysical phenomena are driven by turbulent fluid dynamics, containing behaviors separated by tens of orders of magnitude in scale. While direct simulations have made large strides toward understanding geophysical systems, such models still inhabit modest ranges of the governing parameters that are difficult to extrapolate to planetary settings. The canonical problem of rotating Rayleigh-Bénard convection provides an alternate approach - isolating the fundamental physics in a reduced setting. Theoretical studies and asymptotically-reduced simulations in rotating convection have unveiled a variety of flow behaviors likely relevant to natural systems, but still inaccessible to direct simulation. In lieu of this, several new large-scale rotating convection devices have been designed to characterize such behaviors. It is essential to predict how this potential influx of new data will mesh with existing results. Surprisingly, a coherent framework of predictions for extreme rotating convection has not yet been elucidated. In this study, we combine asymptotic predictions, laboratory and numerical results, and experimental constraints to build a heuristic framework for cross-comparison between a broad range of rotating convection studies. We categorize the diverse field of existing predictions in the context of asymptotic flow regimes. We then consider the physical constraints that determine the points of intersection between flow behavior predictions and experimental accessibility. Applying this framework to several upcoming devices demonstrates that laboratory studies may soon be able to characterize geophysically-relevant flow regimes. These new data may transform our understanding of geophysical and astrophysical turbulence, and the conceptual framework developed herein should provide the theoretical infrastructure needed for meaningful discussion of these results.     

Coupled groundwater flow and transport: 2. Thermohaline and 3D convection systems

This work continues the analysis of variable density flow in groundwater systems. It focuses on both thermohaline (double-diffusive) and three-dimensional (3D) buoyancy-driven convection processes. The finite-element method is utilized to tackle these complex non-linear problems in two and three dimensions. The preferred numerical approaches are discussed regarding appropriate basic formulations, balance-consistent discretization techniques for derivative quantitites, extension of the Boussinesq approximation, proper constraint conditions, time marching schemes, and computational strategies for solving large systems. Applications are presented for the thermohaline Elder and salt dome problem as well as for the 3D extension of the Elder problem with and without thermohaline effects and a 3D Bénard convection process. The simulations are performed by using the package FEFLOW. Conclusions are drawn with respect to numerical efforts and the appropriateness for practical needs.     

A FEniCS-based programming framework for modeling turbulent flow by the Reynolds-averaged Navier-Stokes equations

Finding an appropriate turbulence model for a given flow case usually calls for extensive experimentation with both models and numerical solution methods. This work presents the design and implementation of a flexible, programmable software framework for assisting with numerical experiments in computational turbulence. The framework targets Reynolds-averaged Navier-Stokes models, discretized by finite element methods. The novel implementation makes use of Python and the FEniCS package, the combination of which leads to compact and reusable code, where model- and solver-specific code resemble closely the mathematical formulation of equations and algorithms. The presented ideas and programming techniques are also applicable to other fields that involve systems of nonlinear partial differential equations. We demonstrate the framework in two applications and investigate the impact of various linearizations on the convergence properties of nonlinear solvers for a Reynolds-averaged Navier-Stokes model.     

Analytical Solutions Involving Shock Waves for Testing Debris Avalanche Numerical Models

Analytical solutions to debris avalanche problems involving shock waves are derived. The debris avalanche problems are described in two different coordinate systems, namely, the standard Cartesian and topography-linked coordinate systems. The analytical solutions can then be used to test debris avalanche numerical models. In this article, finite volume methods are applied as the numerical models. We compare the performance of the finite volume method with reconstruction of the conserved quantities based on stage, height, and velocity to that of the conserved quantities based on stage, height, and momentum for solving the debris avalanche problems involving shock waves. The numerical solutions agree with the analytical solution. In addition, both reconstructions lead to similar numerical results. This article is an extension of the work of Mangeney et al. (Pure Appl Geophys 157(6–8):1081–1096, 2000).     

A finite element method for the diffusion-convection equation with constant coefficients

Existing numerical methods for the solution of the diffusion-convection equation are unsatisfactory for convection dominated flow problems. A new finite element method incorporating the method of characteristics for the solution of the diffusion-convection equation with constant coefficients in one spatial dimensions is derived. This method is capable of solving diffusion-convection equation without any of the difficulties encountered in the existing numerical methods for the whole spectrum of dispersion from pure diffusion, through mixed dispersion, to pure convection. Several examples for the one-dimensional case are solved and results are compared with the exact solutions. The generalization of the method to variable coefficients and to the diffusion-convection equation in two space dimensions are discussed.     

Higher order time integration methods for two-phase flow

Time integration methods that adapt in both the order of approximation and time step have been shown to provide efficient solutions to Richards' equation. In this work, we extend the same method of lines approach to solve a set of two-phase flow formulations and address some mass conservation issues from the previous work. We analyze these formulations and the nonlinear systems that result from applying the integration methods, placing particular emphasis on their index, range of applicability, and mass conservation characteristics. We conduct numerical experiments to study the behavior of the numerical models for three test problems. We demonstrate that higher order integration in time is more efficient than standard low-order methods for a variety of practical grids and integration tolerances, that the adaptive scheme successfully varies the step size in response to changing conditions, and that mass balance can be maintained efficiently using variable-order integration and an appropriately chosen numerical model formulation.     

Coupled Process Models of Fluid Flow and Heat Transfer in Hydrothermal Systems in Three Dimensions

Geothermal fields and hydrothermal mineral deposits are manifestations of the interaction between heat transfer and fluid flow in the Earth’s crust. Understanding the factors that drive fluid flow is essential for managing geothermal energy production and for understanding the genesis of hydrothermal mineral systems. We provide an overview of fluid flow drivers with a focus on flow driven by heat and hydraulic head. We show how numerical simulations can be used to compare the effect of different flow drivers on hydrothermal mineralisation. We explore the concepts of laminar flow in porous media (Darcy’s law) and the non-dimensional Rayleigh number (Ra) for free thermal convection in the context of fluid flow in hydrothermal systems in three dimensions. We compare models of free thermal convection to hydraulic head driven flow in relation to hydrothermal copper mineralisation at Mount Isa, Australia. Free thermal convection occurs if the permeability of the fault system results in Ra above the critical threshold, whereas a vertical head gradient results in an upward flow field.     

Application of the Lorenz equations for studying thermal convection in the lithosphere

Stationary solutions including wave solutions with constant amplitudes are found for nonlinear equations of thermal convection in a layer with nonlinear rheology. The solution is based on the Fourier expansion of unknown velocities and temperatures with only the first and first two terms retained in the velocity and temperature series, respectively. This method, which can be regarded as the Lorenz method, yields the Lorenz equations that fairly well describe the thermal convection in a layer with Newtonian rheology if the Rayleigh number is not very large. The obtained generalization of the Lorenz equations to the case of an integral (having a memory) nonlinear rheology implies that only the first term is retained in the Fourier series for the stress components, i.e., the nonlinear rheological equation is harmonically linearized. However, in the Fourier series of temperature, it is essential to keep the second term: this term, which is independent of the horizontal coordinate, models the thermal boundary layer that characterizes the developed convection. We constructed the bifurcation curves that describe the stationary convection in the nonlinear integral medium simulating the rheology of the mantle, and analyzed the stability of stationary convective flows. The Lorenz method is applied to study small-scale thermal convection in the lithosphere of the Earth.     

海啸传播模型与数值模拟研究进展

海啸在浅水大陆架的传播问题由于其非线性作用和浅水效应而变得十分复杂,然而目前成熟的海啸传播理论及数值模拟结果在这方面与实际并不一致.本文比较分析了可用来模拟大陆架海啸传播的浅水波模型和数值方法,并提出对我国东海陆架边缘可能发生的近海海啸需要开展数值试验研究.     

The effect of stratification and compressibility on anelastic convection in a rotating plane layer

We study the effect of stratification and compressibility on the threshold of convection and the heat transfer by developed convection in the nonlinear regime in the presence of strong background rotation. We consider fluids both with constant thermal conductivity and constant thermal diffusivity. The fluid is confined between two horizontal planes with both boundaries being impermeable and stress-free. An asymptotic analysis is performed in the limits of weak compressibility of the medium and rapid rotation (τ^?1/12???|θ|???1, where τ is the Taylor number and θ is the dimensionless temperature jump across the fluid layer). We find that the properties of compressible convection differ significantly in the two cases considered. Analytically, the correction to the characteristic Rayleigh number resulting from small compressibility of the medium is positive in the case of constant thermal conductivity of the fluid and negative for constant thermal diffusivity. These results are compared with numerical solutions for arbitrary stratification. Furthermore, by generalizing the nonlinear theory of Julien and Knobloch [Fully nonlinear three-dimensional convection in a rapidly rotating layer. Phys. Fluids 1999, 11, 1469–1483] to include the effects of compressibility, we study the Nusselt number in both cases. In the weakly nonlinear regime we report an increase of efficiency of the heat transfer with the compressibility for fluids with constant thermal diffusivity, whereas if the conductivity is constant, the heat transfer by a compressible medium is more efficient than in the Boussinesq case only if the specific heat ratio γ is larger than two.     

Evaluation of integration methods for hybrid simulation of complex structural systems through collapse

This study examines the performance of integration methods for hybrid simulation of large and complex structural systems in the context of structural collapse due to seismic excitations. The target application is not necessarily for real-time testing, but rather for models that involve large-scale physical sub-structures and highly nonlinear numerical models. Four case studies are presented and discussed. In the first case study, the accuracy of integration schemes including two widely used methods, namely, modified version of the implicit Newmark with fixed-number of iteration (iterative) and the operator-splitting (non-iterative) is examined through pure numerical simulations. The second case study presents the results of 10 hybrid simulations repeated with the two aforementioned integration methods considering various time steps and fixed-number of iterations for the iterative integration method. The physical sub-structure in these tests consists of a single-degree-of-freedom (SDOF) cantilever column with replaceable steel coupons that provides repeatable highlynonlinear behavior including fracture-type strength and stiffness degradations. In case study three, the implicit Newmark with fixed-number of iterations is applied for hybrid simulations of a 1:2 scale steel moment frame that includes a relatively complex nonlinear numerical substructure. Lastly, a more complex numerical substructure is considered by constructing a nonlinear computational model of a moment frame coupled to a hybrid model of a 1:2 scale steel gravity frame. The last two case studies are conducted on the same porotype structure and the selection of time steps and fixed number of iterations are closely examined in pre-test simulations. The generated unbalance forces is used as an index to track the equilibrium error and predict the accuracy and stability of the simulations.     

Three-Dimensional Electromagnetic Modelling and Inversion from Theory to Application

The whole subject of three-dimensional (3-D) electromagnetic (EM) modelling and inversion has experienced a tremendous progress in the last decade. Accordingly there is an increased need for reviewing the recent, and not so recent, achievements in the field. In the first part of this review paper I consider the finite-difference, finite-element and integral equation approaches that are presently applied for the rigorous numerical solution of fully 3-D EM forward problems. I mention the merits and drawbacks of these approaches, and focus on the most essential aspects of numerical implementations, such as preconditioning and solving the resulting systems of linear equations. I refer to some of the most advanced, state-of-the-art, solvers that are today available for such important geophysical applications as induction logging, airborne and controlled-source EM, magnetotellurics, and global induction studies. Then, in the second part of the paper, I review some of the methods that are commonly used to solve 3-D EM inverse problems and analyse current implementations of the methods available. In particular, I also address the important aspects of nonlinear Newton-type optimisation techniques and computation of gradients and sensitivities associated with these problems.     

Eulerian-Lagrangian localized adjoint methods for systems of nonlinear advective-diffusive-reactive transport equations

The contamination of groundwater by various hazardous materials has emerged as a primary environmental issue. The pollution of oil reservoirs is a closely related problem in that microorganisms are involved in the contaminant process. The mathematical models that describe these phenomena involve a set of nonlinear advective-diffusive-reactive transport equations, which may involve reactions with all the species and are themselves coupled to growth equations for the subsurface bacterial population. In this article, we discuss and compare different mathematical models, present Eulerian-Lagrangian localized adjoint methods (ELLAM) and combine them with specific linearization techniques to solve these nonlinear transport systems. The derived numerical schemes systematically adapt to the changing features of governing equations. The relative importance of advection, diffusion and reaction is directly incorporated into the schemes by judicious choice of the test functions in the variational formulations. Numerical experiments are presented to show the potential of these methods.     

Equilibrium-type and link-type lattice Boltzmann models for generic advection and anisotropic-dispersion equation

We extend lattice Boltzmann (LB) methods to advection and anisotropic-dispersion equations (AADE). LB methods are advocated for the exactness of their conservation laws, the handling of different length and time scales for flow/transport problems, their locality and extreme simplicity. Their extension to anisotropic collision operators (L-model) and anisotropic equilibrium distributions (E-model) allows to apply them to generic diffusion forms. The AADE in a conventional form can be solved by the L-model. Based on a link-type collision operator, the L-model specifies the coefficients of the symmetric diffusion tensor as linear combination of its eigenvalue functions. For any type of collision operator, the E-model constructs the coefficients of the transformed diffusion tensors from linear combinations of the relevant equilibrium projections. The model is able to eliminate the second order tensor of its numerical diffusion. Both models rely on mass conserving equilibrium functions and may enhance the accuracy and stability of the isotropic convection–diffusion LB models.The link basis is introduced as an alternative to a polynomial collision basis. They coincide for one particular eigenvalue configuration, the two-relaxation-time (TRT) collision operator, suitable for both mass and momentum conservation laws. TRT operator is equivalent to the BGK collision in simplicity but the additional collision freedom relates it to multiple-relaxation-times (MRT) models. “Optimal convection” and “optimal diffusion” eigenvalue solutions for the TRT E-model allow to remove next order corrections to AADE. Numerical results confirm the Chapman–Enskog and dispersion analysis.     

Nonlinear Convection in a Rotating Annulus with a Finite Gap

Thermal convection in a fluid-filled gap between the two corotating, concentric cylindrical sidewalls with sloping curved ends driven by radial buoyancy was first studied by Busse (Busse, F.H., "Thermal instabilities in rapidly rotating systems", J. Fluid Mech . 44 , 441-460 (1970)). The annulus model captures the key features of rotating convection in full spherical geometry and has been widely employed to study convection, magnetoconvection and dynamos in planetary systems, usually in connection with the small-gap approximation neglecting the effect of azimuthal curvature of the annulus. This article investigates nonlinear thermal convection in a rotating annulus with a finite gap through numerical simulations of the full set of nonlinear convection equations. Three representative cases are investigated in detail: a large-gap annulus with the ratio of the radii ( s i and s o ) of the sidewalls ξ = s i / o s = 0.1, a medium-gap annulus with ξ = 0.35 and a small-gap annulus with ξ = 0.8. Near the onset of convection, the effect of rapid rotation through the sloping ends forces the first (Hopf) bifurcation in the form of small-scale, steadily drifting rolls (thermal Rossby waves). At moderately large Rayleigh numbers, a variety of different convection patterns are found, including mixed-mode steadily drifting, quasi-periodic (vacillating) and temporally chaotic convection in association with various temporal and spatial symmetry-breaking bifurcations. Our extensive simulations suggest that competition between nonlinear and rotational effects with increasing Rayleigh number leads to an unusual sequence of bifurcation characterized by enlarging the spatial scale of convection.     

Analytical Solutions for Water Flow and Solute Transport in the Unsaturated Zone

Analytical solutions for the water flow and solute transport equations in the unsaturated zone are presented. We use the Broadbridge and White nonlinear model to solve the Richards’ equation for vertical flow under a constant infiltration rate. Then we extend the water flow solution and develop an exact parametric solution for the advection-dispersion equation. The method of characteristics is adopted to determine the location of a solute front in the unsaturated zone. The dispersion component is incorporated into the final solution using a singular perturbation method. The formulation of the analytical solutions is simple, and a complete solution is generated without resorting to computationally demanding numerical schemes. Indeed, the simple analytical solutions can be used as tools to verify the accuracy of numerical models of water flow and solute transport. Comparison with a finite-element numerical solution indicates that a good match for the predicted water content is achieved when the mesh grid is one-fourth the capillary length scale of the porous medium. However, when numerically solving the solute transport equation at this level of discretization, numerical dispersion and spatial oscillations were significant.