Closing the gap between experiment and theory: crystal growth by temperature accelerated dynamics.
We present atomistic simulations of crystal growth where realistic experimental deposition rates are reproduced, without needing any a priori information on the relevant diffusion processes. Using the temperature accelerated dynamics method, we simulate the deposition of 4 monolayers (ML) of Ag/Ag(100) at the rate of 0.075 ML/s, thus obtaining a boost of several orders of magnitude with respect to ordinary molecular dynamics. In the temperature range analyzed (0-70 K), steering and activated mechanisms compete in determining the surface roughness.
Montalenti
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Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA.
Sørensen
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MR
Voter
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