We study the temporal evolution of a flat Ag(100) surface in the temperature range 300-600 K. Using a recent version of the temperature-accelerated dynamics method, we are able to simulate very long time scales, ranging from milliseconds at 600 K to several months at 300 K. Interesting diffusion mechanisms are observed. In particular, the spontaneous creation of short-lived adatom-vacancy pairs leads to diffusion of the surface atoms within the surface.
Montalenti, F., Voter, A., Ferrando, R. (2002). Spontaneous atomic shuffle in flat terraces: Ag(100). PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, 66, 205404 [10.1103/PhysRevB.66.205404].
Spontaneous atomic shuffle in flat terraces: Ag(100)
MONTALENTI, FRANCESCO CIMBRO MATTIA;
2002
Abstract
We study the temporal evolution of a flat Ag(100) surface in the temperature range 300-600 K. Using a recent version of the temperature-accelerated dynamics method, we are able to simulate very long time scales, ranging from milliseconds at 600 K to several months at 300 K. Interesting diffusion mechanisms are observed. In particular, the spontaneous creation of short-lived adatom-vacancy pairs leads to diffusion of the surface atoms within the surface.
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