Extended Data Fig. 1: Ab-inito molecular dynamics.
From: Ultrafast lattice disordering can be accelerated by electronic collisional forces
Ab-inito molecular dynamics (AIMD) of the disordering process after the electronic temperature is raised to 2200 K and kept fixed (see10 for details of the simulation). The plot shows the V-V distance as a function of time for multiple MD trajectories (black lines). Blue and red lines show the long and short bonds averaged over multiple unit cells. The lattice is initially at 300 (top) and 100 K (bottom). Note that this simulation is done under the Born-Oppenheimer approximation. The trajectories disorder faster starting at 300 K than when starting at 100 K.
