Connecting discrete particle mechanics to continuum granular micromechanics: Anisotropic continuum properties under compaction

Connecting a Discrete Ionic Simulation to a Continuum

An important problem in simulating ions in solution is the connection of the finite simulation region to the surrounding continuum bath. In this paper we consider this connection for a simulation of uncharged independent Brownian particles and discuss the relevance of the results to a simulation of charged particles (ions). We consider a simulation region surrounded by a buffer embedded in a co...

Introduction to Continuum Mechanics

Microtubule elasticity: connecting all-atom simulations with continuum mechanics.

The mechanical properties of microtubules have been extensively studied using a wide range of biophysical techniques, seeking to understand the mechanics of these cylindrical polymers. Here we develop a method for connecting all-atom molecular dynamics simulations with continuum mechanics and show how this can be applied to understand microtubule mechanics. Our coarse-graining technique applied...

Connecting discrete and continuum dislocation mechanics: a non-singular spectral framework

In this paper, we present an improved framework of the spectral-based Discrete Dislocation Dynamics (DDD) approach introduced in [1, 2], that establishes a direct connection with the continuum Field Dislocation Mechanics (FDM) approach. To this end, an analytical method to convert a discrete dislocation network to its continuous dislocation density tensor representation is first developed. From...

Discrete Modelling and Discrete Algorithms in Continuum Mechanics