Related papers: Convergence of a force-based hybrid method for ato…
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 extend the chemical-potential-based free-energy lattice Boltzmann (LB) model of Li et al. [Phys. Rev. E 103, 013304 (2021)] by integrating generalized equilibria, originally formulated for the color-gradient LB model using sixth-order…
Rigid bodies, plastic impact, persistent contact, Coulomb friction, and massless limbs are ubiquitous simplifications introduced to reduce the complexity of mechanics models despite the obvious physical inaccuracies that each incurs…
A three-dimensional (3D) lattice Boltzmann method based on central moments is derived. Two main elements are the local attractors in the collision term and the source terms representing the effect of external and/or self-consistent internal…
This paper is concerned with the energy decomposition of various nonlocal models, including elasticity, thin plates, and gradient elasticity, to arrive at bond-based nonlocal models in which the bond force depends only on the deformation of…
The conformal method is a technique for finding Cauchy data in general relativity solving the Einstein constraint equations, and its parameters include a conformal class, a conformal momentum (as measured by a densitized lapse), and a mean…
Off-equilibrium dynamics of a three-dimensional lattice model with nearest- and next nearest-neighbors exclusions is studied. At equilibrium, the model undergoes a first-order fluid-solid transition. Non-equilibrium filling, through random…
We derive the partial differential equation (PDE) to which the pseudo-potential lattice Boltzmann method (P-LBM) converges under diffusive scaling, providing a rigorous basis for its consistency analysis. By establishing a direct link…
The notion of quantum symmetry has recently been extended to include reduced-dimensional transformations and algebraic structures beyond groups. Such generalized symmetries lead to exotic phases of matter and excitations that defy Landau's…
Real applications in structural mechanics, where the dynamic behavior is linear, are rare. Usually, structures are made of components assembled together by means of joints whose behavior maybe highly nonlinear. Depending on the amount of…
In this paper the normal collision of spherical particles is investigated. The particle interaction is modelled in a macroscopic way using the Hertzian contact force with additional linear damping. The goal of the work is to develop an…
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…
A modification of the Adaptive Biasing Force method is introduced, in which the free energy is approximated by a sum of tensor products of one-dimensional functions. This enables to handle a larger number of reaction coordinates than the…
This work focuses on a class of elliptic boundary value problems with diffusive, advective and reactive terms, motivated by the study of three-dimensional heterogeneous physical systems composed of two or more media separated by a selective…
We investigate a quasicontinuum method by means of analytical tools. More precisely, we compare a discrete-to-continuum analysis of an atomistic one-dimensional model problem with a corresponding quasicontinuum model. We consider next and…
A hybrid lattice Boltzmann method (LBM) for binary mixtures based on the free-energy approach is proposed. Non-ideal terms of the pressure tensor are included as a body force in the LBM kinetic equations, used to simulate the continuity and…
Atomistic/continuum coupling method is a class of multiscale computational method for the efficient simulation of crystalline defects. The recently developed blended ghost force correction (BGFC) method combines the efficiency of blending…
We propose a hybrid continuum surface force (CSF) formulation to model the interface interaction within the three-phase volume of fluid (VOF) method. Instead of employing the height function globally, we compute the curvature based on a…
Small displacement methods have been successfully used to calculate the lattice dynamical properties of crystals. It involves displacing atoms by a small amount in order to calculate the induced forces on all atoms in a supercell for the…
This study presents a fractional-order continuum mechanics approach that allows combining selected characteristics of nonlocal elasticity, typical of classical integral and gradient formulations, under a single frame-invariant framework.…