Cooling and structure
Heat and cool these atoms
Uses an 8.63 fs integration step instead of 4.31 fs. The force law is unchanged, but trajectories are less accurate. Switch it off for close inspection.
Fast-forward calculates more unchanged MD steps and renders less often. High requested rates may be limited by this device; the achieved rate is measured live.
Wait for a condensed region first.
The seed rearranges a small group of existing argon atoms into an FCC fragment and holds them as a nucleation template. The coloured seed can be released afterwards; surrounding atoms still follow the same Lennard-Jones forces.
Schedules change the heat bath gradually. They never move atoms into place.
Closely surrounded—
Largest dense group—
Crystalline local order—
Live measurements from this sample.
How these values are measured
An atom is counted as closely surrounded when at least five atoms are within 1.45σ (4.94 Å). The largest dense group connects such atoms within that distance. Crystalline order also requires several neighbours with matching local orientations. These are finite-sample structural indicators.
Each starting sample has its own density; the volume then stays fixed. Structure is measured from the atoms, without temperature thresholds. Cooling may leave several clusters or a slowly rearranging disordered structure.
Structure history