Related papers: GPU Accelerated Discrete Element Method (DEM) Mole…
We propose a new model for the description of complex granular particles and their interaction in molecular dynamics simulations of granular material in two dimensions. The grains are composed of triangles which are connected by deformable…
A novel implicit integration scheme for the Discrete Element Method (DEM) based on the variational integrator approach is presented. The numerical solver provides a fully dynamical description that, notably, reduces to an energy…
Simulating interactions between non-spherical colloidal particles is computationally challenging due to the complex dependency of forces and energies on their geometry. We introduce and evaluate both descriptor-based and end-to-end models…
We present a high-fidelity three dimensional computational framework for simulating the bulk mechanical behavior of granular aggregates composed of deformable brittle grains. Departing from classical discrete element methods (DEM), our…
Discrete simulation methods are efficient tools to investigate the complex behaviors of complex fluids made of either dry granular materials or dilute suspensions. By contrast, materials made of soft and/or concentrated units (emulsions,…
First, a meshless simulation method is presented for multiphase fluid-particle flows with a two-way coupled Smoothed Particle Hydrodynamics (SPH) for the fluid and the Discrete Element Method (DEM) for the solid phase. The unresolved fluid…
A systematic analysis of defect textures in facetted nanoparticles with polygonal configurations embedded in a nematic matrix is performed using the Landau-de Gennes model, homeotropic strong anchoring in a square domain with uniform…
The Paper discusses the use of the regular packing of identical balls with the coordination number 4 as a model of a medium consisting of fluid and solid particles in the conditions of fluidization. It is proposed to use the examined…
A large number of powerful, high-quality, and open-source simulation packages exist to efficiently perform molecular dynamics simulations, and their prevalence has greatly accelerated discoveries across a wide range of scientific domains.…
We propose a new model for the description of complex granular particles and their interaction in molecular dynamics simulations of granular material in two dimensions. The grains are composed of triangles which are connected by deformable…
In practical structural design and solid mechanics simulations, material properties inherently exhibit random variations within bounded intervals. However, evaluating mechanical responses under continuous material uncertainty remains a…
In this work, we present an alternative methodology to solve the particle-fluid interaction in the resolved CFDEM coupling framework. This numerical approach consists of coupling a Discrete Element Method (DEM) with a Computational Fluid…
In this paper, a hybrid quasi-static atomistic simulation method at finite temperature is developed, which combines the advantages of MD for thermal equilibrium and atomic-scale finite element method (AFEM) for efficient equilibration. Some…
This work presents a finite element method for simulating dynamic processes that involve the coupled evolution of dislocation motion and crack propagation. The method numerically solves the Concurrent Atomistic-Continuum (CAC) formulation…
The simulation of sand--water mixtures requires capturing the stochastic behavior of individual sand particles within a uniform, continuous fluid medium, such as the characteristic of migration, deposition, and plugging across various…
We present an approach for the inclusion of non-spherical constituents in high-resolution N-body discrete element method (DEM) simulations. We use aggregates composed of bonded spheres to model non-spherical components. Though the method…
The grain envelope model (GEM) describes the growth of envelopes of dendritic crystal grains during solidification. Numerically the growing envelopes are usually tracked using an interface capturing method employing a phase field equation…
Coarse-grained molecular dynamics (CGMD) is a technique developed as a concurrent multiscale model that couples conventional molecular dynamics (MD) to a more coarse-grained description of the periphery. The coarse-grained regions are…
A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new…
One essential question in material sciences is how to bridge the gap between the microscopic picture and a macroscopic description. The former involves contact forces and deformations, whereas the latter concerns tensorial quantities like…