Molecular dynamics simulations of H₂O molecules: Simulated annealing
A few different molecular dynamics (MD) simulations of H₂O molecules where the temperature is slowly decreasing (simulated annealing) in order to obtain liquid and then solid states (water and ice).
Some thermodynamic properties are observed along the simulations. Neighbor count is the average number of oxygen neighbors (within 5Å) each oxygen has, RDF (radial distribution function) is computed for oxygen-oxygen.
Video attempted to be rendered in 4K UHD 60FPS.
Interaction model for H20 used is SPC/E, for more info see
MD simulations carried out with LAMMPS,
Visualization with OVITO,
Music:
Pure Potentiality by Benjamin Martins
Vitality by Benjamin Martins
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