arXiv subjects

K. B. Nakshatrala

Publications and source records attributed to K. B. Nakshatrala.

At least 37 records · Page 2Linked to original sources

arXiv2018

Global sensitivity analysis of frequency band gaps in one-dimensional phononic crystals

Phononic crystals have been widely employed in many engineering fields, which is due to their unique feature of frequency band gaps. For example, their capability to filter out the incoming elastic waves, which include seismic waves, will have a significant impact on the seismic safety of nuclear infrastructure. In order to accurately design the desired frequency band gaps, one must pay attention on how the input parameters and the interaction of the parameters can affect the frequency band gaps. Global sensitivity analysis can decompose the dispersion relationship of the phononic crystals and screen the variance attributed to each of the parameters and the interaction between them. Prior to the application in one-dimensional (1D) phononic crystals, this paper will first review the theory of global sensitivity analysis using variance decomposition (Sobol sensitivity analysis). Afterwards, the sensitivity analysis is applied to study a simple mathematical model with three input variables for better understanding of the concept. Then, the sensitivity analysis is utilized to study the characteristic of the first frequency band gap in 1D phononic crystals with respect to the input parameters. This study reveals the quantified influence of the parameters and their correlation in determining the first frequency band gap. In addition, simple straight-forward design equations based on reduced Sobol functions are proposed to easily estimate the first frequency band gap. Finally, the error associated with the proposed design equations is also addressed.

cs.CE↗

arXiv2018

A global sensitivity analysis and reduced order models for hydraulically-fractured horizontal wells

We present a systematic global sensitivity analysis using the Sobol method which can be utilized to rank the variables that affect two quantity of interests -- pore pressure depletion and stress change -- around a hydraulically-fractured horizontal well based on their degree of importance. These variables include rock properties and stimulation design variables. A fully-coupled poroelastic hydraulic fracture model is used to account for pore pressure and stress changes due to production. To ease the computational cost of a simulator, we also provide reduced order models (ROMs), which can be used to replace the complex numerical model with a rather simple analytical model, for calculating the pore pressure and stresses at different locations around hydraulic fractures. The main findings of this research are: (i) mobility, production pressure, and fracture half-length are the main contributors to the changes in the quantities of interest. The percentage of the contribution of each parameter depends on the location with respect to pre-existing hydraulic fractures and the quantity of interest. (ii) As the time progresses, the effect of mobility decreases and the effect of production pressure increases. (iii) These two variables are also dominant for horizontal stresses at large distances from hydraulic fractures. (iv) At zones close to hydraulic fracture tips or inside the spacing area, other parameters such as fracture spacing and half-length are the dominant factors that affect the minimum horizontal stress. The results of this study will provide useful guidelines for the stimulation design of legacy wells and secondary operations such as refracturing and infill drilling.

math.NA↗

arXiv2018

A stabilized mixed discontinuous Galerkin formulation for double porosity/permeability model

Modeling flow through porous media with multiple pore-networks has now become an active area of research due to recent technological endeavors like geological carbon sequestration and recovery of hydrocarbons from tight rock formations. Herein, we consider the double porosity/permeability (DPP) model, which describes the flow of a single-phase incompressible fluid through a porous medium exhibiting two dominant pore-networks with a possibility of mass transfer across them. We present a stable mixed discontinuous Galerkin (DG) formulation for the DPP model. The formulation enjoys several attractive features. These include: (i) Equal-order interpolation for all the field variables (which is computationally the most convenient) is stable under the proposed formulation. (ii) The stabilization terms are residual-based, and the stabilization parameters do not contain any mesh-dependent parameters. (iii) The formulation is theoretically shown to be consistent, stable, and hence convergent. (iv) The formulation supports non-conforming discretizations and distorted meshes. (v) The DG formulation has improved element-wise (local) mass balance compared to the corresponding continuous formulation. (vi) The proposed formulation can capture physical instabilities in coupled flow and transport problems under the DPP model.

cs.CE↗

arXiv2018

Composable block solvers for the four-field double porosity/permeability model

The objective of this paper is twofold. First, we propose two composable block solver methodologies to solve the discrete systems that arise from finite element discretizations of the double porosity/permeability (DPP) model. The DPP model, which is a four-field mathematical model, describes the flow of a single-phase incompressible fluid in a porous medium with two distinct pore-networks and with a possibility of mass transfer between them. Using the composable solvers feature available in PETSc and the finite element libraries available under the Firedrake Project, we illustrate two different ways by which one can effectively precondition these large systems of equations. Second, we employ the recently developed performance model called the Time-Accuracy-Size (TAS) spectrum to demonstrate that the proposed composable block solvers are scalable in both the parallel and algorithmic sense. Moreover, we utilize this spectrum analysis to compare the performance of three different finite element discretizations (classical mixed formulation with H(div) elements, stabilized continuous Galerkin mixed formulation, and stabilized discontinuous Galerkin mixed formulation) for the DPP model. Our performance spectrum analysis demonstrates that the composable block solvers are fine choices for any of these three finite element discretizations. Sample computer codes are provided to illustrate how one can easily implement the proposed block solver methodologies through PETSc command line options.

cs.CE↗

arXiv2018

Modeling flow in porous media with double porosity/permeability: Mathematical model, properties, and analytical solutions

Geo-materials such as vuggy carbonates are known to exhibit multiple spatial scales. A common manifestation of spatial scales is the presence of (at least) two different scales of pores, which is commonly referred to as double porosity. To complicate things, the pore-network at each scale exhibits different permeability, and these networks are connected through fissure and conduits. Although some models are available in the literature, they lack a strong theoretical basis. This paper aims to fill this lacuna by providing the much needed theoretical foundations of the flow in porous media which exhibit double porosity/permeability. We first obtain a mathematical model for double porosity/permeability using the maximization of rate of dissipation hypothesis, and thereby providing a firm thermodynamic underpinning. We then present, along with mathematical proofs, several important mathematical properties that the solutions to the double porosity/permeability model satisfy. These properties are important in their own right as well as serve as good (mechanics-based) a posteriori measures to assess the accuracy of numerical solutions. We also present several canonical problems and obtain the corresponding analytical solutions, which are used to gain insights into the velocity and pressure profiles, and the mass transfer across the two pore-networks. In particular, we highlight how the solutions under the double porosity/permeability differ from the corresponding solutions under Darcy equations.

physics.flu-dyn↗

arXiv2017

Modeling flow in porous media with double porosity/permeability: A stabilized mixed formulation, error analysis, and numerical solutions

The flow of incompressible fluids through porous media plays a crucial role in many technological applications such as enhanced oil recovery and geological carbon-dioxide sequestration. The flow within numerous natural and synthetic porous materials that contain multiple scales of pores cannot be adequately described by the classical Darcy equations. It is for this reason that mathematical models for fluid flow in media with multiple scales of pores have been proposed in the literature. However, these models are analytically intractable for realistic problems. In this paper, a stabilized mixed four-field finite element formulation is presented to study the flow of an incompressible fluid in porous media exhibiting double porosity/permeability. The stabilization terms and the stabilization parameters are derived in a mathematically and thermodynamically consistent manner, and the computationally convenient equal-order interpolation of all the field variables is shown to be stable. A systematic error analysis is performed on the resulting stabilized weak formulation. Representative problems, patch tests and numerical convergence analyses are performed to illustrate the performance and convergence behavior of the proposed mixed formulation in the discrete setting. The accuracy of numerical solutions is assessed using the mathematical properties satisfied by the solutions of this double porosity/permeability model. Moreover, it is shown that the proposed framework can perform well under transient conditions and that it can capture well-known instabilities such as viscous fingering.

cs.CE↗

arXiv2017

A scalable variational inequality approach for flow through porous media models with pressure-dependent viscosity

Mathematical models for flow through porous media typically enjoy the so-called maximum principles, which place bounds on the pressure field. It is highly desirable to preserve these bounds on the pressure field in predictive numerical simulations, that is, one needs to satisfy discrete maximum principles (DMP). Unfortunately, many of the existing formulations for flow through porous media models do not satisfy DMP. This paper presents a robust, scalable numerical formulation based on variational inequalities (VI), to model non-linear flows through heterogeneous, anisotropic porous media without violating DMP. VI is an optimization technique that places bounds on the numerical solutions of partial differential equations. To crystallize the ideas, a modification to Darcy equations by taking into account pressure-dependent viscosity will be discretized using the lowest-order Raviart-Thomas (RT0) and Variational Multi-scale (VMS) finite element formulations. It will be shown that these formulations violate DMP, and, in fact, these violations increase with an increase in anisotropy. It will be shown that the proposed VI-based formulation provides a viable route to enforce DMP. Moreover, it will be shown that the proposed formulation is scalable, and can work with any numerical discretization and weak form. Parallel scalability on modern computational platforms will be illustrated through strong-scaling studies, which will prove the efficiency of the proposed formulation in a parallel setting. Algorithmic scalability as the problem size is scaled up will be demonstrated through novel static-scaling studies. The performed static-scaling studies can serve as a guide for users to be able to select an appropriate discretization for a given problem size.

cs.CE↗

arXiv2017

A performance spectrum for parallel computational frameworks that solve PDEs

Important computational physics problems are often large-scale in nature, and it is highly desirable to have robust and high performing computational frameworks that can quickly address these problems. However, it is no trivial task to determine whether a computational framework is performing efficiently or is scalable. The aim of this paper is to present various strategies for better understanding the performance of any parallel computational frameworks for solving PDEs. Important performance issues that negatively impact time-to-solution are discussed, and we propose a performance spectrum analysis that can enhance one's understanding of critical aforementioned performance issues. As proof of concept, we examine commonly used finite element simulation packages and software and apply the performance spectrum to quickly analyze the performance and scalability across various hardware platforms, software implementations, and numerical discretizations. It is shown that the proposed performance spectrum is a versatile performance model that is not only extendable to more complex PDEs such as hydrostatic ice sheet flow equations, but also useful for understanding hardware performance in a massively parallel computing environment. Potential applications and future extensions of this work are also discussed.

cs.MS↗

arXiv2016

Variational inequality approach to enforce the non-negative constraint for advection-diffusion equations

Predictive simulations are crucial for the success of many subsurface applications, and it is highly desirable to obtain accurate non-negative solutions for transport equations in these numerical simulations. In this paper, we propose a computational framework based on the variational inequality (VI) which can also be used to enforce important mathematical properties (e.g., maximum principles) and physical constraints (e.g., the non-negative constraint). We demonstrate that this framework is not only applicable to diffusion equations but also to non-symmetric advection-diffusion equations. An attractive feature of the proposed framework is that it works with with any weak formulation for the advection-diffusion equations, including single-field formulations, which are computationally attractive. A particular emphasis is placed on the parallel and algorithmic performance of the VI approach across large-scale and heterogeneous problems. It is also shown that QP and VI are equivalent under certain conditions. State-of-the-art QP and VI solvers available from the PETSc library are used on a variety of steady-state 2D and 3D benchmarks, and a comparative study on the scalability between the QP and VI solvers is presented. We then extend the proposed framework to transient problems by simulating the miscible displacement of fluids in a heterogeneous porous medium and illustrate the importance of enforcing maximum principles for these types of coupled problems. Our numerical experiments indicate that VIs are indeed a viable approach for enforcing the maximum principles and the non-negative constraint in a large-scale computing environment. Also provided are Firedrake project files as well as a discussion on the computer implementation to help facilitate readers in understanding the proposed framework.

cs.CE↗

arXiv2016

Large-scale Optimization-based Non-negative Computational Framework for Diffusion Equations: Parallel Implementation and Performance Studies

It is well-known that the standard Galerkin formulation, which is often the formulation of choice under the finite element method for solving self-adjoint diffusion equations, does not meet maximum principles and the non-negative constraint for anisotropic diffusion equations. Recently, optimization-based methodologies that satisfy maximum principles and the non-negative constraint for steady-state and transient diffusion-type equations have been proposed. To date, these methodologies have been tested only on small-scale academic problems. The purpose of this paper is to systematically study the performance of the non-negative methodology in the context of high performance computing (HPC). PETSc and TAO libraries are, respectively, used for the parallel environment and optimization solvers. For large-scale problems, it is important for computational scientists to understand the computational performance of current algorithms available in these scientific libraries. The numerical experiments are conducted on the state-of-the-art HPC systems, and a single-core performance model is used to better characterize the efficiency of the solvers. Our studies indicate that the proposed non-negative computational framework for diffusion-type equations exhibits excellent strong scaling for real-world large-scale problems.

math.NA↗

arXiv2016

Material degradation due to moisture and temperature. Part 1: Mathematical model, analysis, and analytical solutions

The mechanical response, serviceability, and load bearing capacity of materials and structural components can be adversely affected due to external stimuli, which include exposure to a corrosive chemical species, high temperatures, temperature fluctuations (i.e., freezing-thawing), cyclic mechanical loading, just to name a few. It is, therefore, of paramount importance in several branches of engineering -- ranging from aerospace engineering, civil engineering to biomedical engineering -- to have a fundamental understanding of degradation of materials, as the materials in these applications are often subjected to adverse environments. As a result of recent advancements in material science, new materials like fiber-reinforced polymers and multi-functional materials that exhibit high ductility have been developed and widely used; for example, as infrastructural materials or in medical devices (e.g., stents). The traditional small-strain approaches of modeling these materials will not be adequate. In this paper, we study degradation of materials due to an exposure to chemical species and temperature under large-strain and large-deformations. In the first part of our research work, we present a consistent mathematical model with firm thermodynamic underpinning. We then obtain semi-analytical solutions of several canonical problems to illustrate the nature of the quasi-static and unsteady behaviors of degrading hyperelastic solids.

cond-mat.mtrl-sci↗

arXiv2016

A hybrid multi-time-step framework for pore-scale and continuum-scale modeling of solute transport in porous media

In this paper, we propose a computational framework,which is based on a domain decomposition technique, to employ both finite element method (which is a popular continuum modeling approach) and lattice Boltzmann method (which is a popular pore-scale modeling approach) in the same computational domain. To bridge the gap across the disparate length and time-scales, we first propose a new method to enforce continuum-scale boundary conditions (i.e., Dirichlet and Neumann boundary conditions) onto the numerical solution from the lattice Boltzmann method. This method are based on maximization of entropy and preserve the non-negativity of discrete distributions under the lattice Boltzmann method. The proposed computational framework allows different grid sizes, orders of interpolation, and time-steps in different subdomains. This allows for different desired resolutions in the numerical solution in different subdomains. Through numerical experiments, the effect of grid and time-step refinement, disparity of time-steps in different subdomains, domain partitioning, and the number of iteration steps on the accuracy and rate of convergence of the proposed methodology are studied. Finally, to showcase the performance of this framework in porous media applications, we use it to simulate the dissolution of calcium carbonate in a porous structure.

cs.CE↗

arXiv2016

Mechanics-based solution verification for porous media models

This paper presents a new approach to verify accuracy of computational simulations. We develop mathematical theorems which can serve as robust a posteriori error estimation techniques to identify numerical pollution, check the performance of adaptive meshes, and verify numerical solutions. We demonstrate performance of this methodology on problems from flow thorough porous media. However, one can extend it to other models. We construct mathematical properties such that the solutions to Darcy and Darcy-Brinkman equations satisfy them. The mathematical properties include the total minimum mechanical power, minimum dissipation theorem, reciprocal relation, and maximum principle for the vorticity. All the developed theorems have firm mechanical bases and are independent of numerical methods. So, these can be utilized for solution verification of finite element, finite volume, finite difference, lattice Boltzmann methods and so forth. In particular, we show that, for a given set of boundary conditions, Darcy velocity has the minimum total mechanical power of all the kinematically admissible vector fields. We also show that a similar result holds for Darcy-Brinkman velocity. We then show for a conservative body force, the Darcy and Darcy-Brinkman velocities have the minimum total dissipation among their respective kinematically admissible vector fields. Using numerical examples, we show that the minimum dissipation and total mechanical power theorems can be utilized to identify pollution errors in numerical solutions. The solutions to Darcy and Darcy-Brinkman equations are shown to satisfy a reciprocal relation, which has the potential to identify errors in the numerical implementation of boundary conditions.

math.NA↗

arXiv2015

On enforcing maximum principles and achieving element-wise species balance for advection-diffusion-reaction equations under the finite element method

We present a robust computational framework for advective-diffusive-reactive systems that satisfies maximum principles, the non-negative constraint, and element-wise species balance property. The proposed methodology is valid on general computational grids, can handle heterogeneous anisotropic media, and provides accurate numerical solutions even for very high Péclet numbers. The significant contribution of this paper is to incorporate advection (which makes the spatial part of the differential operator non-self-adjoint) into the non-negative computational framework, and overcome numerical challenges associated with advection. We employ low-order mixed finite element formulations based on least-squares formalism, and enforce explicit constraints on the discrete problem to meet the desired properties. The resulting constrained discrete problem belongs to convex quadratic programming for which a unique solution exists. Maximum principles and the non-negative constraint give rise to bound constraints while element-wise species balance gives rise to equality constraints. The resulting convex quadratic programming problems are solved using an interior-point algorithm. Several numerical results pertaining to advection-dominated problems are presented to illustrate the robustness, convergence, and the overall performance of the proposed computational framework.

math.NA↗

arXiv2015

Do current lattice Boltzmann methods for diffusion and diffusion-type equations respect maximum principles and the non-negative constraint?

The lattice Boltzmann method (LBM) has established itself as a valid numerical method in computational fluid dynamics. Recently, multiple-relaxation-time LBM has been proposed to simulate anisotropic advection-diffusion processes. The governing differential equations of advective-diffusive systems are known to satisfy maximum principles, comparison principles, the non-negative constraint, and the decay property. In this paper, it will be shown that current single- and multiple-relaxation-time lattice Boltzmann methods fail to preserve these mathematical properties for transient diffusion-type equations. It will also be shown that the discretization of Dirichlet boundary conditions will affect the performance of lattice Boltzmann methods in meeting these mathematical principles. A new way of discretizing the Dirichlet boundary conditions is also proposed. Several benchmark problems have been solved to illustrate the performance of lattice Boltzmann methods and the effect of discretization of boundary conditions with respect to the aforementioned mathematical properties for transient diffusion and advection-diffusion equations.

math.NA↗

arXiv2015

On mesh restrictions to satisfy comparison principles, maximum principles, and the non-negative constraint: Recent developments and new results

This paper concerns with mesh restrictions that are needed to satisfy several important mathematical properties -- maximum principles, comparison principles, and the non-negative constraint -- for a general linear second-order elliptic partial differential equation. We critically review some recent developments in the field of discrete maximum principles, derive new results, and discuss some possible future research directions in this area. In particular, we derive restrictions for a three-node triangular (T3) element and a four-node quadrilateral (Q4) element to satisfy comparison principles, maximum principles, and the non-negative constraint under the standard single-field Galerkin formulation. Analysis is restricted to uniformly elliptic linear differential operators in divergence form with Dirichlet boundary conditions specified on the entire boundary of the domain. Various versions of maximum principles and comparison principles are discussed in both continuous and discrete settings. In the literature, it is well-known that an acute-angled triangle is sufficient to satisfy the discrete weak maximum principle for pure isotropic diffusion. An iterative algorithm is developed to construct simplicial meshes that preserves discrete maximum principles using existing open source mesh generators. Various numerical examples based on different types of triangulations are presented to show the pros and cons of placing restrictions on a computational mesh. We also quantify local and global mass conservation errors using representative numerical examples, and illustrate the performance of metric-based meshes with respect to mass conservation.

math.NA↗

arXiv2014

A monolithic multi-time-step computational framework for first-order transient systems with disparate scales

Developing robust simulation tools for problems involving multiple mathematical scales has been a subject of great interest in computational mathematics and engineering. A desirable feature to have in a numerical formulation for multiscale transient problems is to be able to employ different time-steps (multi-time-step coupling), and different time integrators and different numerical formulations (mixed methods) in different regions of the computational domain. We present two new monolithic multi-time-step mixed coupling methods for first-order transient systems. We shall employ unsteady advection-diffusion-reaction equation with linear decay as the model problem, which offers several unique challenges in terms of non-self-adjoint spatial operator and rich features in the solutions. We shall employ the dual Schur domain decomposition technique to handle the decomposition of domain into subdomains. Two different methods of enforcing compatibility along the subdomain interface will be used in the time discrete setting. A systematic theoretical analysis (which includes numerical stability, influence of perturbations, bounds on drift along the subdomain interface) will be performed. The first coupling method ensures that there is no drift along the subdomain interface but does not facilitate explicit/implicit coupling. The second coupling method allows explicit/implicit coupling with controlled (but non-zero) drift in the solution along the subdomain interface. Several canonical problems will be solved to numerically verify the theoretical predictions, and to illustrate the overall performance of the proposed coupling methods. Finally, we shall illustrate the robustness of the proposed coupling methods using a multi-time-step transient simulation of a fast bimolecular advective-diffusive-reactive system.

math.NA↗

arXiv2014

On multi-time-step monolithic coupling algorithms for elastodynamics

We present a way of constructing multi-time-step monolithic coupling methods for elastodynamics. The governing equations for constrained multiple subdomains are written in dual Schur form and enforce the continuity of velocities at system time levels. The resulting equations will be in the form of differential-algebraic equations. To crystallize the ideas we shall employ Newmark family of time-stepping schemes. The proposed method can handle multiple subdomains, and allows different time-steps as well as different time stepping schemes from the Newmark family in different subdomains. We shall use the energy method to assess the numerical stability, and quantify the influence of perturbations under the proposed coupling method. We also discuss the conditions under which the proposed method will be energy preserving, and the conditions under which the method will be energy conserving. Several numerical examples are presented to illustrate the accuracy and stability properties of the proposed method. We shall also compare the proposed multi-time-step coupling method with some other similar methods available in the literature.

math.NA↗