UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN

Term Project
MATSE385/PHYS363 - Atomic Scale Simulations
Fall Semester 2001

Thermostats, Pressure Controls
and the simulation of homogeneous nucleation

Paul Erhart		Jan Kretzschmar
Department of Materials		Department of
Science and Engineering		Physics

 

 

 

Abstract

 

The Verlet integrator as well as the Nosé-Hoover thermostat and pressure control have been implemented into an existing molecular dynamics simulation.
The homogeneous nucleation from the vapor phase has been studied for copper.