Related papers: Convergence of a force-based hybrid method for ato…
The accurate approximation of critical strains for lattice instability is a key criterion for predictive computational modeling of materials. In this paper, we present a comparison of the lattice stability for atomistic chains modeled by…
This work is devoted to the consistent modeling of a three-phase mixture of a gas, a liquid and its vapor. Since the gas and the vapor are mis-cible, the mixture is subjected to a non-symmetric constraint on the volume. Adopting the Gibbs…
We consider the problem of matching two shapes assuming these shapes are related by an elastic deformation. Using linearized elasticity theory and the finite element method we seek an elastic deformation that is caused by simple external…
The efficient and accurate simulation of material systems with defects using atomistic- to-continuum (a/c) coupling methods is a topic of considerable interest in the field of computational materials science. To achieve the desired balance…
In this work we construct a low-order nonconforming approximation method for linear elasticity problems supporting general meshes and valid in two and three space dimensions. The method is obtained by hacking the Hybrid High-Order method,…
We present a family of Virtual Element Methods for three-dimensional linear elasticity problems based on the Hellinger-Reissner variational principle. A convergence and stability analysis is developed. Moreover, using the hybridization…
In this paper, we construct new finite element methods for the approximation of the equations of linear elasticity in three space dimensions that produce direct approximations to both stresses and displacements. The methods are based on a…
We combine the ideas of atomistic/continuum energy blending and ghost force correction to obtain an energy-based atomistic/continuum coupling scheme which has, for a range of benchmark problems, the same convergence rates as optimal…
Nonlinear elastic models are widely used to describe the elastic response of crystalline solids, for example, the well-known Cauchy-Born model. While the Cauchy-Born model only depends on the strain, effects of higher order strain gradients…
The simulation of geometrically resolved rigid particles in a fluid relies on coupling algorithms to transfer momentum both ways between the particles and the fluid. In this article, the fluid flow is modeled with a parallel Lattice…
Traditional force fields commonly use a combination of bonded torsional terms and empirically scaled non-bonded interactions to capture 1-4 energies and forces of atoms separated by three bonds in a molecule. While this approach can yield…
A lattice dynamical formalism based on nonaffine response theory is derived for non-centrosymmetric crystals, accounting for long-range interatomic interactions using the Ewald method. The framework takes equilibrated static configurations…
The paper presents a generalization of Arnold-Falk-Winther elements for three dimensional linear elasticity, to meshes with elements of variable order. The generalization is straightforward but the stability analysis involves a non-trivial…
The aim of this work is to provide further insight into the qualitative behavior of mechanical systems that are well described by Lennard-Jones type interactions on an atomistic scale. By means of $\Gamma$-convergence techniques, we study…
Entropic lattice Boltzmann methods have been developed to alleviate intrinsic stability issues of lattice Boltzmann models for under-resolved simulations. Its reliability in combination with moving objects was established for various…
We derive and analyze a hybridizable discontinuous Galerkin (HDG) method for approximating weak solutions to the equations of time-harmonic linear elasticity on a bounded Lipschitz domain in three dimensions. The real symmetry of the stress…
A quadrature-based finite-difference lattice Boltzmann model is developed that is suitable for simulating relativistic flows of massless particles. We briefly review the relativistc Boltzmann equation and present our model. The quadrature…
A methodology for handling block-to-block coupling of nonconforming, multiblock summation-by-parts finite difference methods is proposed. The coupling is based on the construction of projection operators that move a finite difference grid…
This paper addresses the three concepts of \textit{ consistency, stability and convergence } in the context of compact finite volume schemes for systems of nonlinear hyperbolic conservation laws. The treatment utilizes the framework of…
A common observation from an atomistic to continuum coupling method is that the error is often generated and concentrated near the interface, where the two models are combined. In this paper, a new method is proposed to suppress the error…