Figure 2: MD simulations of GBs using periodic boundary conditions.
From: Structural phase transformations in metallic grain boundaries

The thickness of GBs at different temperatures was evaluated from the energy density profile across the GB. (a) The Σ5(310) GB gradually accumulates disorder and pre-melts near the melting point Tm, whereas (b) the Σ5(210) GB undergoes a transformation at 400 K before pre-melting near Tm.