Closing the Gap between Experiment and Theory: Crystal Growth by Temperature Accelerated Dynamics

F. Montalenti, M. R. Sørensen, and A. F. Voter
Phys. Rev. Lett. 87, 126101 – Published 30 August 2001
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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.

  • Received 12 April 2001

DOI:https://doi.org/10.1103/PhysRevLett.87.126101

©2001 American Physical Society

Authors & Affiliations

F. Montalenti*, M. R. Sørensen, and A. F. Voter

  • Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545

  • *Corresponding author. Email address: montalenti@t12.lanl.gov
  • Present address: Novo Nordisk A/S, Novo Nordisk Park, B2.1.31, 2760 Maaloev, Denmark.

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Vol. 87, Iss. 12 — 17 September 2001

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