Closing the Gap between Experiment and Theory: Crystal Growth by Temperature Accelerated Dynamics
- 30 August 2001
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 87 (12) , 126101
- https://doi.org/10.1103/physrevlett.87.126101
Abstract
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.Keywords
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