Related papers: Coupling Atomistic, Elasticity and Boundary Elemen…
The structure and function of biological molecules are strongly influenced by the water and dissolved ions that surround them. This aqueous solution (solvent) exerts significant electrostatic forces in response to the biomolecule's…
This paper presents a new fast multipole boundary element method (FM-BEM) for solving the acoustic transmission problems in 2D periodic media. We divide the periodic media into many fundamental blocks, and then construct the boundary…
The finite element method (FEM) and the boundary element method (BEM) can numerically solve the Helmholtz system for acoustic wave propagation. When an object with heterogeneous wave speed or density is embedded in an unbounded exterior…
This paper introduces BFEMP, a new approach for monolithically coupling the Material Point Method (MPM) with the Finite Element Method (FEM) through barrier energy-based particle-mesh frictional contact using a variational time-stepping…
We are interested in time-harmonic acoustic scattering by an impenetrable obstacle in a medium where the wavenumber is constant in an exterior unbounded subdomain and is possibly heterogeneous in a bounded subdomain. The associated…
We formulate an energy-based atomistic-to-continuum coupling method based on blending the quasicontinuum method for the simulation of crystal defects. We utilize theoretical results from Ortner and Van Koten (manuscript) to derive optimal…
We present a comprehensive a priori error analysis of a practical energy based atomistic/continuum coupling method (Shapeev, arXiv:1010.0512) in two dimensions, for finite-range pair-potential interactions, in the presence of vacancy…
Numerical simulations of crystal defects are necessarily restricted to finite computational domains, supplying artificial boundary conditions that emulate the effect of embedding the defect in an effectively infinite crystalline…
The singularities that arise in elliptic boundary value problems are treated locally by a singular function boundary integral method. This method extracts the leading singular coefficients from a series expansion that describes the local…
A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…
The paper is concerned with the development of efficient and accurate solution procedures for the isogeometric boundary element method (BEM) when applied to problems that contain inclusions that have elastic properties different to the…
We consider an atomistic model defined through an interaction field satisfying a variational principle, and can therefore be considered a toy model of (orbital free) density functional theory. We investigate atomistic-to-continuum coupling…
We present a 3D hybrid method which combines the Finite Element Method (FEM) and the Spectral Boundary Integral method (SBIM) to model nonlinear problems in unbounded domains. The flexibility of FEM is used to model the complex,…
This paper presents a shape optimisation system to design the shape of an acoustically-hard object in the three-dimensional open space. Boundary element method (BEM) is suitable to analyse such an exterior field. However, the conventional…
Accurately predicting wave-structure interactions is critical for the effective design and analysis of marine structures. This is typically achieved using solvers that employ the boundary element method (BEM), which relies on linear…
This paper addresses the problem of consistent energy-based coupling of atomistic and continuum models of materials, limited to zero-temperature statics of simple crystals. It has been widely recognized that the most practical coupled…
QM (quantum mechenics) and MM (molecular mechenics) coupling methods are widely used in simulations of crystalline defects. In this paper, we construct a residual based a posteriori error indicator for QM/MM coupling approximations. We…
Adaptive atomistic/continuum (a/c) coupling method is an important method for the simulation of material and atomistic systems with defects to achieve the balance of accuracy and efficiency. Residual based a posteriori error estimator is…
The paper outlines some recent developments of the boundary element method (BEM) that makes it more user friendly and suitable for a realistic simulation in geomechanics, especially for underground excavations and tunnelling. The…
We model time-harmonic acoustic scattering by an object composed of piece-wise homogeneous parts and an arbitrarily heterogeneous part. We propose and analyze new formulations that couple, adopting a Costabel-type approach, boundary…