Computer simulation of phase transitions and other phenomena
Aims of this program
- In teaching physics and chemistry at elementary and high schools:
A number of phenomena are shown using a two-dimensional molecular model of matter:
- Condensation of gas and crystallization of liquid on cooling.
- Melting and evaporation on heating.
- Mixing of fluids and gases.
- Capillary action.
- Crystal defects in motion.
- Gas in a gravitational field.
- Impact of a solid body (crystal) to a wall.
- In a university course of molecular simulations:
Basic concepts of statistical thermodynamics and molecular simulations can be elucidated:
- Ergodic and deterministic dynamic systems.
- Nucleation, Ostwald ripening.
- Molecular dynamics at constant energy and temperature.
- Metropolis and Creutz Monte Carlo.
- Convergence profile of energy to study thermostats.
- Radial distribution function and coordination number.
- Radial density profile, z-density profile.
- Walls and periodic boundary conditions.
- Flying icecube problem.
- Export of quantities incl. error estimates, export of convergence profiles.
- Enter parameters also from keyboard.
SIMOLANT has been developed by Jiri Kolafa. It is
a free software licensed by the GNU General Public License 3.