Molecular simulation in 2D
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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
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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 and periodic boundary conditions
- Flying icecube artifact
- Expert: export of quantities and statistics, keyboard input
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Student work
- Verification of the Clausius-Clapeyron equation
- Pressure outside a droplet/inside cavity (Kelvin equation)
- Surface / interfacial tension, contact angle
Create a folder (directory), extract to this folder and run from it. In Windows, do not run directly from "folder simolant-win32"!
- simolant-amd64.zip - for linux (64 bit)
- simolant-win32.zip - for Microsoft Windows (32 bit)
- help window and panel enlarged
- Tinker menu added
- timeouts based on the measured simulation times
- new button [invert] walls
- CSV output added
- Okabe and Ito colorblind-safe palette