Browsing by Subject "Phase field"

Fracture is a common phenomenon in engineering applications. Many types of fracture exist, including, but not limited to, brittle fracture, quasi-brittle fracture, cohesive fracture, and ductile fracture. Predicting fracture has been one of the most challenging research topics in computational mechanics. The variational treatment of fracture and its associated phase-field regularization have been employed with great success for modeling fracture in brittle materials. Extending the variational statement to describe other types of fracture and coupled field phenomena has proven less straightforward. Main challenges that remain include how to best construct a total potential that is both mathematically sound and physically admissible, and how to properly describe the coupling between fracture and other phenomena.

The research presented in this dissertation aims at addressing the aforementioned challenges. A variational framework is proposed to describe fracture in general dissipative solids. In essence, the variational statement is extended to account for large deformation kinematics, inelastic deformation, dissipation mechanisms, dynamic effects, and thermal effects. The proposed variational framework is shown to be consistent with conservations and laws of thermodynamics, and it provides guidance and imposes restrictions on the construction of models for coupled field problems. Within the proposed variational framework, several models are instantiated to address practical engineering problems. A brittle and quasi-brittle fracture model is used to investigate fracture evolution in polycrystalline materials; a cohesive fracture model is applied to revisit soil desiccation; a novel ductile fracture model is proposed and successfully applied to simulate some challenging benchmark problems; and a creep fracture model is developed to simulate the spallation of oxide scale on high temperature heat exchangers.

Interfaces play a dominant role in governing the response of many biological systems and they pose many challenges to traditional finite element. For sharp-interface model, traditional finite element methods necessitate the finite element mesh to align with surfaces of discontinuities. Diffuse-interface model replaces the sharp interface with continuous variations of an order parameter resulting in significant computational effort. To overcome these difficulties, we focus on developing a computationally efficient spline-based finite element method for interface problems.

A key challenge while employing B-spline basis functions in finite-element methods is the robust imposition of Dirichlet boundary conditions. We begin by examining weak enforcement of such conditions for B-spline basis functions, with application to both second- and fourth-order problems based on Nitsche's approach. The use of spline-based finite elements is further examined along with a Nitsche technique for enforcing constraints on an embedded interface. We show that how the choice of weights and stabilization parameters in the Nitsche consistency terms has a great influence on the accuracy and robustness of the method. In the presence of curved interface, to obtain optimal rates of convergence we employ a hierarchical local refinement approach to improve the geometrical representation of interface.

In multiple dimensions, a spline basis is obtained as a tensor product of the one-dimensional basis. This necessitates a rectangular grid that cannot be refined locally in regions of embedded interfaces. To address this issue, we develop an adaptive spline-based finite element method that employs hierarchical refinement and coarsening techniques. The process of refinement and coarsening guarantees linear independence and remains the regularity of the basis functions. We further propose an efficient data transfer algorithm during both refinement and coarsening which yields to accurate results.

The adaptive approach is applied to vesicle modeling which allows three-dimensional simulation to proceed efficiently. In this work, we employ a continuum approach to model the evolution of microdomains on the surface of Giant Unilamellar Vesicles. The chemical energy is described by a Cahn-Hilliard type density functional that characterizes the line energy between domains of different species. The generalized Canham-Helfrich-Evans model provides a description of the mechanical energy of the vesicle membrane. This coupled model is cast in a diffuse-interface form using the phase-field framework. The effect of coupling is seen through several numerical examples of domain formation coupled to vesicle shape changes.

The surface of cell membranes can display a high degree of lateral heterogeneity. This non-uniform distribution of constituents is characterized by mobile nanodomain clusters called rafts. Enriched by saturated phospholipids, cholesterol and proteins, rafts are considered to be vital for several important cellular functions such as signalling and trafficking, morphological transformations associated with exocytosis and endocytosis and even as sites for the replication of viruses. Understanding the evolving distribution of these domains can provide significant insight into the regulation of cell function. Giant vesicles are simple prototypes of cell membranes. Microdomains on vesicles can be considered as simple analogues of rafts on cell membranes and offer a means to study various features of cellular processes in isolation.

In this work, we employ a continuum approach to model the evolution of microdomains on the surface of Giant Unilamellar Vesicles (GUVs). The interplay of species transport on the vesicle surface and the mechanics of vesicle shape change is captured using a chemo-mechanical model. Specifically, the approach focuses on the regime of vesicle dynamics where shape change occurs on a much faster time scale in comparison to species transport, as has been observed in several experimental studies on GUVs. In this study, shape changes are assumed to be instantaneous, while species transport, which is modeled by phase separation and domain coarsening, follows a natural time scale described by the Cahn--Hilliard dynamics.

The curvature energy of the vesicle membrane is defined by the classical Canham--Helfrich--Evans model. Dependence of flexural rigidity and spontaneous curvature on the lipid species is built into the energy functional. The chemical energy is characterized by a Cahn--Hilliard type density function that intrinsically captures the line energy of interfaces between two phases. Both curvature and chemical contributions to the vesicle energetics are consistently non-dimensionalized.

The coupled model is cast in a diffuse-interface form using the phase-field framework. The phase-field form of the governing equations describing shape equilibrium and species transport are both fourth-order and nonlinear. The system of equations is discretized using the finite element method with a uniform cubic-spline basis that satisfies global higher-order continuity. For shape equilibrium, geometric constraints of constant internal volume and constant surface area of the vesicle are imposed weakly using the penalty approach. A time-stepping scheme based on the unconditionally gradient-stable convexity-splitting technique is employed for explicit time integration of nonlocal integrals arising from the geometric constraints.

Numerical examples of axisymmetric stationary shapes of uniform vesicles are presented. Further, two- and three-dimensional numerical examples of domain formation and growth coupled to vesicle shape changes are discussed. Simulations qualitatively depicting curvature-dependent domain sorting and shape changes to minimize line tension are presented. The effect of capturing the difference in time scales is also brought out in a few numerical simulations that predict a starkly different pathway to equilibrium.