SIMOLANT 09/2024
Molecular simulation in 2D
Aims
- 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 / temperature / pressure
- Monte Carlo at constant energy / temperature / pressure
- Convergence profiles of quantities
- Radial distribution function
- Radial density profile, z-density profile.
- Walls / periodic boundary conditions
- Flying icecube artifact
- Expert: export of quantities and statistics, keyboard input
Copyright
SIMOLANT has been developed by Jiri Kolafa. It is
a free software licensed by the GNU General Public License 3.
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