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The goal of this paper is to develop and analyze some fully discrete finite element methods for a displacement-pressure model modeling swelling dynamics of polymer gels under mechanical constraints. In the model, the swelling dynamics is…
We study numerically the energetics and atomic mechanisms of misfit dislocation nucleation and stress relaxation in a two-dimensional atomistic model of strained epitaxial layers on a substrate with lattice misfit. Relaxation processes from…
Coarsening of precipitates in coherent systems is influenced by the elastic fields of the precipitates and the interfacial curvature. It is also known that if precipitates are connected by dislocations, coarsening is affected by the elastic…
A model is presented of s-wave np elastic scattering as proceeding through an intermediate, off-shell dibaryon d*, with corrections to the npd vertex and d* propagator. The model relies on plausible conjectures and hypotheses to match…
Fourier solvers have become efficient tools to establish structure-property relations in heterogeneous materials. Introduced as an alternative to the Finite Element (FE) method, they are based on fixed-point solutions of the…
We explore the use of the nested sampling technique to sample the configuration space of non-spherical hard particles. We employ the technique on the hard dumbbell system consisting of two hard spheres connected by a rigid bond, and…
We compare the accuracy, convergence rate and computational cost of eigenerosion (EE) and phase-field (PF) methods. For purposes of comparison, we specifically consider the standard test case of a center-crack panel loaded in biaxial…
In this paper, we propose a multiphysics finite element method for a nonlinear poroelasticity model. To better describe the processes of deformation and diffusion, we firstly reformulate the nonlinear fluid-solid coupling problem into a…
Over the past decade, Finite Element Method (FEM) has served as a foundational numerical framework for approximating the terms of Time Series Expansion (TSE) as solutions to transient Partial Differential Equation (PDE). However, the…
The zero and finite temperature spin-Peierls transitions in a quasi-one-dimensional spin-1/2 Heisenberg model coupled to adiabatic bond phonons is investigated using the Stochastic Series Expansion (SSE) Quantum Monte Carlo (QMC) method.…
We propose a structure-preserving parametric finite element method (SP-PFEM) for discretizing the surface diffusion of a closed curve in two dimensions (2D) or surface in three dimensions (3D). Here the "structure-preserving" refers to…
The damping of built-up structures stems largely from the microscopic dry frictional interactions in the contact interfaces. The accurate prediction of friction damping has been an important scientific aim of the past several decades.…
The emergence of the mobility edge (ME) has been recognized as an important characteristic of Anderson localization. The difficulty in understanding the physics of the MEs in three-dimensional (3D) systems from a microscopic image…
We study numerically the equilibrium shapes, shape transitions and dislocation nucleation of small strained epitaxial islands with a two-dimensional atomistic model, using simple interatomic pair potentials. We first map out the phase…
A field theory is presented for predicting damage and fracture in quasi-brittle materials. The approach taken here is new and blends a non-local constitutive law with a two-point phase field. In this formulation, the material displacement…
Atomically thin 2-dimensional heterostructures are a promising, novel class of materials with groundbreaking properties. The possiblity of choosing the many constituent components and their proportions allows optimizing these materials to…
We present a methodology combining neural networks with physical principle constraints in the form of partial differential equations (PDEs). The approach allows to train neural networks while respecting the PDEs as a strong constraint in…
We consider a semi-linear integro-differential equation in dimension one associated to the half Laplacian whose solution represents the atom dislocation in a crystal. The equation comprises the evolutive version of the classical…
This article studies the fundamental problem of separating two adhesive elastic fibers based on numerical simulation employing a recently developed finite element model for molecular interactions between curved slender fibers. Specifically,…
Design-space dimensionality reduction is essential to mitigate the cost of high-fidelity simulation-based optimization, especially when dealing with high-dimensional geometric parameterizations. Traditional linear techniques, such as…