Blog Archives

What is Liquid? [in two dimensions]

Travis Karl P., Hoover William G., Hoover Carol G., Hass Amanda B.

We consider the practicalities of defining, simulating, and characterizing “Liquids” from a pedagogical standpoint based on atomistic computer simulations. For simplicity and clarity we study two-dimensional systems throughout. In addition to the infinite-ranged Lennard-Jones 12/6 potential w ...

Dissipative Particle Dynamics via Molecular Dynamics

Travis Karl P.

We demonstrate that the main features of DPD may be obtained using molecular dynamics employing a determin- istic thermostat. This apparent isomorphism holds as long as the MD pair potentials are sufficiently smooth a ...