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Brandon Runnels

Publications and source records attributed to Brandon Runnels.

21 records · Page 2Linked to original sources

Block structured adaptive mesh refinement and strong form elasticity approach to phase field fracture with applications to delamination, crack branching and crack deflection

Fracture is a ubiquitous phenomenon in most composite engineering structures, and is often the responsible mechanism for catastrophic failure. Over the past several decades, many approaches have emerged to model and predict crack failure. The phase field method for fracture uses a surrogate damage field to model crack propagation, eliminating the arduous need for explicit crack meshing. In this work a novel numerical framework is proposed for implementing hybrid phase field fracture in heterogeneous materials. The proposed method is based on the "reflux-free" method for solving, in strong form, the equations of linear elasticity on a block-structured adaptive mesh refinement (BSAMR) mesh. The use of BSAMR enables highly efficient and scalable regridding, facilitates the use of temporal subcycling for explicit time integration, and allows for ultra-high refinement at crack boundaries with minimal computational cost. The method is applied to a variety of simple heterogeneous structures: laminates, wavy interfaces, and circular inclusions. In each case a non-dimensionalized parameter study is performed to identify regions of behavior, varying both the geometry of the problem and the relative fracture energy release rate. In the laminate and wavy interface cases, regions of delamination and fracture correspond to simple analytical predictions. For the circular inclusions, the modulus ratio of the inclusion is varied as well as the delamination energy release rate and the problem geometry. In this case, a wide variety of behaviors was observed, including deflection, splitting, delamination, and pure fracture.

cond-mat.mes-hall↗

Optimal transportation of grain boundaries: A forward model for predicting migration mechanisms

It has been hypothesized that the most likely atomic rearrangement mechanism during grain boundary (GB) migration is the one that minimizes the lengths of atomic displacements in the dichromatic pattern. In this work, we recast the problem of atomic displacement minimization during GB migration as an optimal transport (OT) problem. Under the assumption of a small potential energy barrier for atomic rearrangement, the principle of stationary action applied to GB migration is reduced to the determination of the Wasserstein metric for two point sets. In order to test the minimum distance hypothesis, optimal displacement patterns predicted on the basis of a regularized OT based forward model are compared to molecular dynamics (MD) GB migration data for a variety of GB types and temperatures. Limits of applicability of the minimum distance hypothesis and interesting consequences of the OT formulation are discussed in the context of MD data analysis for twist GBs, general Σ3 twin boundaries and a tilt GB that exhibits shear coupling. The forward model may be used to predict atomic displacement patterns for arbitrary disconnection modes and a variety of metastable states, facilitating the analysis of multimodal GB migration data.

cond-mat.mtrl-sci↗

Massively parallel finite difference elasticity using block-structured adaptive mesh refinement with a geometric multigrid solver

Computationally solving the equations of elasticity is a key component in many materials science and mechanics simulations. Phenomena such as deformation-induced microstructure evolution, microfracture, and microvoid nucleation are examples of applications for which accurate stress and strain fields are required. A characteristic feature of these simulations is that the problem domain is simple (typically a rectilinear representative volume element (RVE)), but the evolution of internal topological features is extremely complex. Traditionally, the finite element method (FEM) is used for elasticity calculations; FEM is nearly ubiquituous due to (1) its ability to handle meshes of complex geometry using isoparametric elements, and (2) the weak formulation which eschews the need for computation of second derivatives. However, variable topology problems (e.g. microstructure evolution) require either remeshing, or adaptive mesh refinement (AMR) - both of which can cause extensive overhead and limited scaling. Block-structured AMR (BSAMR) is a method for adaptive mesh refinement that exhibits good scaling and is well-suited for many problems in materials science. Here, it is shown that the equations of elasticity can be efficiently solved using BSAMR using the finite difference method. The boundary operator method is used to treat different types of boundary conditions, and the "reflux-free" method is introduced to efficiently and easily treat the coarse-fine boundaries that arise in BSAMR. Examples are presented that demonstrate the use of this method in a variety of cases relevant to materials science: Eshelby inclusions, fracture, and microstructure evolution. Reasonable scaling is demonstrated up to $\sim$4000 processors with tens of millions of grid points, and good AMR efficiency is observed.

cs.CE↗