MEAM

Molecular dynamics simulations allow for the visualization and analysis of atoms and molecules. The choice of boundary conditions in these simulations can impact the overall system, and is an important design decision. In particular, open boundary molecular dynamics simulations is one type of methodology that allows for the treatment of atomistic models with non equilibrium […]

Non-equilibrium phenomena are ubiquitous across material systems and of great technological relevance. Examples of such phenomena include diffusion processes in liquid and gases, viscoelasticity and plasticity in solids, and rheological behavior of colloidal and granular media. Despite their ubiquity and importance, the understanding of non-equilibrium phenomena remains in its infancy compared with classical equilibrium thermodynamics […]